data_2i59_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 2i59 _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 ' 3' ' ' GLN . . . . . 0.545 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.598 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 18' ' ' LEU . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.582 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.576 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.731 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.57 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 7.8 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tt . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.731 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.449 ' HE2' ' CZ ' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 99' ' ' MET . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 21.3 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.563 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 31' ' ' PHE . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.376 0 CA-C-O 120.877 0.37 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.793 ' HA ' HG21 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.793 HG21 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 HD22 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' HB2' HD12 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.479 ' HB2' HD12 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.772 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.772 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.67 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.699 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 47.0 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.462 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB3' ' CB ' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 HG21 ' HB3' ' A' ' 40' ' ' ASN . 2.4 p . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.408 HG22 HD22 ' A' ' 92' ' ' LEU . 15.6 tt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.408 HD22 HG22 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.699 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.67 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.467 ' HE2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.467 ' CE2' ' HE2' ' A' ' 99' ' ' MET . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.625 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 . . . . . 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.48 0.181 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.491 ' HA ' HG21 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.656 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.592 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 HD23 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.592 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.629 ' HB3' HD23 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.695 ' HA ' HG11 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.621 HD22 ' HG3' ' A' ' 111' ' ' MET . 20.1 t30 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.695 HG11 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.687 ' HZ1' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.674 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.674 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.579 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.481 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' N ' HD13 ' A' ' 71' ' ' LEU . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.481 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.722 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.722 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.449 HG22 HD23 ' A' ' 92' ' ' LEU . 16.2 tt . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.664 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.644 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.621 ' HG3' HD22 ' A' ' 40' ' ' ASN . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' MET . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.471 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.656 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 17' ' ' ASN . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 HD21 ' HB2' ' A' ' 13' ' ' ALA . 91.8 m-20 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.526 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.489 ' HA ' HG13 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 37' ' ' SER . 7.2 t30 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD13 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' HE1' ' A' ' 53' ' ' MET . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.815 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.815 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.7 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.642 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 8.0 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 107' ' ' ILE . 7.2 p . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.596 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.504 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.515 ' HG3' HD23 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 103' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.717 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.692 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.484 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.711 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.665 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.626 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.599 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.714 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.618 HD22 ' HG3' ' A' ' 111' ' ' MET . 36.2 t30 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 3.9 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.2 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 92' ' ' LEU . 9.9 tt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 100' ' ' PHE . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.618 ' HG3' HD22 ' A' ' 40' ' ' ASN . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.626 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.526 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.837 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.837 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.606 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.496 HD22 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.649 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.72 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.72 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.564 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.487 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.488 HG23 HD11 ' A' ' 92' ' ' LEU . 13.2 tt . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.488 HD11 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 99' ' ' MET . 26.7 m-70 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.564 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.647 ' H ' ' NE2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' HD22 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.458 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.586 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.823 0.344 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.649 ' HA ' HG21 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.649 HG21 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 28' ' ' PHE . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.63 ' HB3' HD21 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG11 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.404 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 53' ' ' MET . 26.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.755 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.456 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.486 HG22 HD23 ' A' ' 92' ' ' LEU . 12.8 tt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.61 0.243 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 HG22 ' A' ' 91' ' ' ILE . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.755 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 101' ' ' GLN . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.58 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.475 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.417 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.423 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.421 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 112' ' ' LYS . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG13 HD12 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.778 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.778 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.773 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.773 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 22.3 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' HG3' ' OE1' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.412 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 107' ' ' ILE . 7.5 p . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.465 HG21 HD23 ' A' ' 92' ' ' LEU . 14.7 tt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.465 HD23 HG21 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.466 HD11 HG23 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.539 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.674 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.543 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.669 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD12 HD21 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.672 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.669 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' HA ' HG13 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.526 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' HB2' ' HE3' ' A' ' 111' ' ' MET . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.446 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 92' ' ' LEU . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.587 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.489 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HZ3' ' HB2' ' A' ' 102' ' ' LYS . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.578 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' N ' HG21 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.709 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.709 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.56 HD22 ' HG3' ' A' ' 111' ' ' MET . 32.9 t30 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 56' ' ' LYS . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.629 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' HE2' ' A' ' 53' ' ' MET . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.51 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 4.5 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.629 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 99' ' ' MET . 28.0 m-70 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.657 ' H ' ' NE2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.56 ' HG3' HD22 ' A' ' 40' ' ' ASN . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 121' ' ' LYS . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.528 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.801 ' H ' HD13 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.427 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.443 ' CB ' HD12 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.634 ' HB2' HD21 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 37' ' ' SER . 14.9 t30 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.567 ' HB3' ' HE3' ' A' ' 53' ' ' MET . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.642 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.642 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.515 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 49.9 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.524 HG12 ' HE3' ' A' ' 99' ' ' MET . 14.5 tt . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.515 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.449 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.524 ' HE3' HG12 ' A' ' 91' ' ' ILE . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.705 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.5 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 115' ' ' SER . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.705 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.705 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.513 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--O 1.236 0.361 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HZ1' ' HB3' ' A' ' 10' ' ' LYS . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.666 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.666 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.548 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HB2' HD13 ' A' ' 18' ' ' LEU . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.665 HH11 ' HG2' ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.529 ' HB2' HD21 ' A' ' 124' ' ' LEU . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HA ' HG13 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' SER . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.615 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.497 ' HA ' HD22 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.415 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 72' ' ' SER . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.644 ' HG2' HG11 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.644 HG11 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p . . . . . 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.428 HG22 HD22 ' A' ' 92' ' ' LEU . 13.7 tt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 91' ' ' ILE . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.454 ' HD3' ' HE3' ' A' ' 59' ' ' MET . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.618 ' HG3' HD22 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.689 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 121' ' ' LYS . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.589 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.604 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.604 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.663 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.583 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.486 HD22 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB2' ' HE2' ' A' ' 111' ' ' MET . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HE1' ' A' ' 53' ' ' MET . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE1' ' HB2' ' A' ' 95' ' ' PRO . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.747 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 26.9 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.509 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.487 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.747 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.486 HE21 ' HA ' ' A' ' 101' ' ' GLN . 43.1 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.486 ' HG3' HD22 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.731 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.731 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.559 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.535 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.486 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HB2' HD12 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.728 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.519 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.683 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.424 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.406 ' O ' ' HE1' ' A' ' 99' ' ' MET . 13.7 tt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.452 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.451 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.521 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.586 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.555 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.539 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.728 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.423 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.535 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 75.0 m-85 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.562 ' NE2' ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.61 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' HG23 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.562 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.705 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.618 ' HB3' HD21 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.59 ' HB3' ' HE2' ' A' ' 53' ' ' MET . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HZ3' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.59 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.497 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.5 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.504 ' HB3' ' O ' ' A' ' 77' ' ' SER . 5.7 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.936 0.398 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 99' ' ' MET . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.706 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.551 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.705 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.716 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.716 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.682 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HD22 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' HB2' HD13 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB2' HD23 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HA ' HG13 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.428 ' HB2' HD12 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.475 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB3' ' O ' ' A' ' 72' ' ' SER . 11.4 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 100' ' ' PHE . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.502 ' HA ' HD21 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.734 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.629 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.466 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.682 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 121.228 0.537 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.459 HG21 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 111' ' ' MET . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.594 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.588 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HA ' HG11 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.687 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.687 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.645 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.695 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.569 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.63 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.611 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.674 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.498 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.619 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.52 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.541 ' O ' HD11 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 . . . . . 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.724 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.724 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.488 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.675 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HB2' HD12 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.531 ' NH2' ' HZ2' ' A' ' 33' ' ' LYS . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.651 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HZ2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.684 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.444 ' HB2' ' HE3' ' A' ' 111' ' ' MET . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.471 ' HE3' ' OE1' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' OE1' ' HE3' ' A' ' 53' ' ' MET . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.471 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.524 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.408 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.742 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.211 0.053 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.639 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.665 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.651 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.458 0.647 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.55 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CE3' HD22 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD2' ' HE3' ' A' ' 53' ' ' MET . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 12.9 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.421 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' HE3' ' A' ' 99' ' ' MET . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.463 ' HE3' HD12 ' A' ' 92' ' ' LEU . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HA ' HD21 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.631 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.711 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.628 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.628 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.533 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 123' ' ' ASP . 22.8 m-85 . . . . . 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.684 HD11 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.513 ' HE3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.523 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.557 ' HB2' HD23 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.685 ' HA ' HG11 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.727 HD22 ' HG3' ' A' ' 111' ' ' MET . 15.4 t30 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.68 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.68 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.632 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 43' ' ' PHE . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 92' ' ' LEU . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.487 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 23.0 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.727 ' HG3' HD22 ' A' ' 40' ' ' ASN . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.667 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.57 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.477 ' OG ' ' HE3' ' A' ' 121' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.404 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.626 0.25 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.2 mtt -95.62 8.85 42.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.545 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 -77.08 102.99 6.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.605 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.598 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CD2' HD23 ' A' ' 18' ' ' LEU . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.582 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.576 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.731 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.57 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 7.8 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.45 139.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.67 79.07 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.482 0.658 . . . . 0.0 111.549 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.3 m -144.43 -170.67 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.776 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.543 ' HG2' ' HG2' ' A' ' 86' ' ' ARG . 36.6 tt0 -63.29 107.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.191 174.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.22 -43.44 0.04 OUTLIER Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.185 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -35.49 -64.99 0.26 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 112.988 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -114.14 24.18 12.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.21 0.528 . . . . 0.0 110.207 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.624 ' HG3' HD11 ' A' ' 87' ' ' LEU . 11.9 tpt180 -101.43 162.3 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.509 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.624 HD11 ' HG3' ' A' ' 86' ' ' ARG . 10.2 mp 62.63 -79.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.007 0.523 . . . . 0.0 111.398 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 91' ' ' ILE . 46.5 m-80 64.91 153.16 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 37.5 mt-10 -52.77 -25.79 12.33 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -55.96 -31.27 62.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.055 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 88' ' ' ASN . 10.8 tt -91.1 -23.57 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.731 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.449 ' HE2' ' CZ ' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 99' ' ' MET . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 21.3 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.563 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.442 ' O ' ' HD2' ' A' ' 129' ' ' LYS . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.643 ' HB3' ' HB2' ' A' ' 130' ' ' ARG . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 -69.49 -13.28 62.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.5 mm? -103.73 143.25 33.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.434 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -76.22 -15.61 60.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.966 0.412 . . . . 0.0 109.923 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -77.95 -8.74 58.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.703 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 123' ' ' ASP . 67.7 mttm -114.25 -52.85 2.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 1.9 tmt_? -83.47 111.87 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.3 m -71.1 92.11 0.95 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -168.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 130' ' ' ARG . 36.4 tt0 -111.96 -57.73 2.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 165.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 63.69 -75.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.471 171.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.65 153.35 32.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 111.753 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.43 160.78 17.39 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.738 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.88 -40.98 68.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 t70 38.39 -87.41 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.311 1.007 . . . . 0.0 113.258 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.576 -179.026 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.407 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ttt -67.34 -45.11 77.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.302 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -69.23 142.33 54.23 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.14 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.793 ' HA ' HG21 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.793 HG21 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 HD22 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' HB2' HD12 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.479 ' HB2' HD12 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.772 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.772 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.67 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.699 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 47.0 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.462 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB3' ' CB ' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 HG21 ' HB3' ' A' ' 40' ' ' ASN . 2.4 p -80.65 142.93 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.39 84.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.4 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG13 HG13 ' A' ' 79' ' ' VAL . 28.0 m -100.96 179.34 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.33 96.64 1.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.3 -85.28 1.14 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.036 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -152.76 173.97 14.61 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -68.92 97.21 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.396 0.617 . . . . 0.0 110.435 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.33 -1.23 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.8 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.28 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.58 -89.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.504 -1.225 . . . . 0.0 112.506 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -143.26 -61.36 0.42 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -75.43 70.92 2.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.682 0.753 . . . . 0.0 111.443 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.408 HG22 HD22 ' A' ' 92' ' ' LEU . 15.6 tt -161.31 -30.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.722 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.408 HD22 HG22 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.699 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.67 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.467 ' HE2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.467 ' CE2' ' HE2' ' A' ' 99' ' ' MET . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.625 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.4 mm? -83.66 126.59 33.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.025 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.46 -27.88 65.62 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 132' ' ' GLU . 11.3 t-80 -78.63 -8.16 58.37 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.42 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 129' ' ' LYS . 70.9 mmtt -100.29 -30.47 11.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.436 ' NH2' ' OG ' ' A' ' 4' ' ' SER . 18.7 ttm180 -73.14 -58.48 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.5 m -103.92 100.23 10.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 169.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 128' ' ' HIS . 46.0 mt-10 -67.76 -17.78 64.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.43 -172.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -86.73 138.53 31.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.21 24.01 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -104.12 104.34 14.26 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.99 86.64 0.25 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 111.256 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.14 104.39 12.44 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.494 -174.027 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ttt -155.81 151.34 27.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.921 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -76.2 11.4 1.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.458 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.491 ' HA ' HG21 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.656 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.592 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 HD23 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.592 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.629 ' HB3' HD23 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.695 ' HA ' HG11 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.621 HD22 ' HG3' ' A' ' 111' ' ' MET . 20.1 t30 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.695 HG11 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.687 ' HZ1' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.674 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.674 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.579 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.481 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' N ' HD13 ' A' ' 71' ' ' LEU . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.481 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.722 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.722 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG11 HG12 ' A' ' 81' ' ' VAL . 7.3 p -79.57 148.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.82 88.6 3.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 -177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG12 HG11 ' A' ' 79' ' ' VAL . 31.1 m -101.52 149.76 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.68 -22.85 37.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.669 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.43 10.29 85.5 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.668 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.158 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -136.53 110.71 8.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.384 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 86' ' ' ARG . 27.1 mtm180 -105.52 158.39 16.7 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.528 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HA ' HG21 ' A' ' 91' ' ' ILE . 4.6 mp -101.5 125.11 48.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.516 -172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -174.5 -56.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.886 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.46 92.25 0.43 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.863 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 50.02 17.3 0.29 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 HG21 ' HA ' ' A' ' 87' ' ' LEU . 16.2 tt -94.94 -27.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 90' ' ' LYS . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.664 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.644 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.621 ' HG3' HD22 ' A' ' 40' ' ' ASN . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' MET . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.471 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.471 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.656 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 -72.68 -15.14 61.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.2 mm? -98.57 142.89 29.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.552 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -76.02 -18.17 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.363 0.601 . . . . 0.0 109.521 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.62 -20.86 17.38 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.883 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' A' ' 122' ' ' SER . 58.0 tptt -64.76 -38.22 90.24 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -121.18 98.38 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 33.6 p -52.02 101.23 0.03 OUTLIER 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.373 0.421 . . . . 0.0 110.771 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.98 128.64 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.44 97.1 2.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.41 0.624 . . . . 0.0 110.111 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.96 -165.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.555 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -47.42 104.64 0.06 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.948 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.47 140.61 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.389 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -104.8 152.13 22.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.755 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.448 -177.209 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.259 0.096 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.22 -10.59 59.99 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -100.85 8.08 43.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 17' ' ' ASN . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 HD21 ' HB2' ' A' ' 13' ' ' ALA . 91.8 m-20 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.526 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.489 ' HA ' HG13 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 37' ' ' SER . 7.2 t30 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD13 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' HE1' ' A' ' 53' ' ' MET . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.815 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.815 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.7 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.642 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 8.0 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 107' ' ' ILE . 7.2 p -89.12 157.64 3.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -71.2 82.37 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.283 0.563 . . . . 0.0 111.093 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.58 112.72 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.779 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.653 ' HG3' ' HG3' ' A' ' 84' ' ' GLN . 10.6 pt-20 -76.26 -171.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.124 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.57 42.13 1.71 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.688 -175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.653 ' HG3' ' HG3' ' A' ' 82' ' ' GLU . 98.5 mt-30 -77.73 -32.05 52.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 m -148.65 106.64 3.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.462 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 3.2 mmp_? -117.18 135.79 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.225 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mp -101.62 136.3 41.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.215 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.643 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.1 m-20 -83.77 146.18 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.87 -36.36 5.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.883 0.373 . . . . 0.0 111.637 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HD2' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -75.13 -23.86 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.74 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 88' ' ' ASN . 11.6 tt -73.32 -23.2 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.351 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.596 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.504 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.515 ' HG3' HD23 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 87' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.717 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.692 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.514 ' O ' HD21 ' A' ' 126' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.484 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -80.06 2.58 23.36 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 123' ' ' ASP . 4.0 mm? -86.7 170.13 12.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -86.1 -48.91 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -88.65 87.72 7.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 166.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -111.22 179.89 3.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.616 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -92.08 151.37 20.47 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.8 m -53.17 107.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.97 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.433 ' HG2' HD13 ' A' ' 124' ' ' LEU . 36.2 mt-10 -64.04 -31.4 72.58 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.259 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.19 -177.82 6.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.313 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.59 137.43 40.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.66 103.36 0.25 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.253 0.549 . . . . 0.0 109.758 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -91.25 141.4 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.641 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -132.43 -37.51 1.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.229 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.049 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.6 mtt -88.02 -35.96 17.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.76 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -55.15 131.05 44.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.711 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.665 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.626 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.599 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.714 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.618 HD22 ' HG3' ' A' ' 111' ' ' MET . 36.2 t30 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 3.9 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.2 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -64.56 145.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.48 78.57 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.3 m -119.96 137.52 53.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.266 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 37.2 mt-10 -64.3 157.84 24.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.579 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.22 -37.08 71.07 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.376 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.17 -13.94 62.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.289 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.3 m -101.96 -2.56 29.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.251 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.0 mtt180 -92.68 129.68 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.703 HD13 ' HG ' ' A' ' 103' ' ' LEU . 6.3 mp -71.07 86.35 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.333 0.587 . . . . 0.0 110.918 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -93.86 -1.41 54.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.765 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -80.56 160.7 25.08 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.685 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.75 16.24 0.54 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.026 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 92' ' ' LEU . 9.9 tt -62.35 -23.78 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 87' ' ' LEU . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.618 ' HG3' HD22 ' A' ' 40' ' ' ASN . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.626 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.924 ' HB3' ' HA ' ' A' ' 130' ' ' ARG . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 5.17 0.55 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 123' ' ' ASP . 4.5 mm? -73.38 -48.62 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.456 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -146.33 -158.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -63.96 -4.65 3.54 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.126 0.489 . . . . 0.0 110.168 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -45.7 -27.05 0.73 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.421 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.924 ' HA ' ' HB3' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.04 123.57 12.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.578 0.704 . . . . 0.0 111.849 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.6 m -77.07 86.73 3.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.783 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.32 109.99 1.29 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.592 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.35 101.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.885 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 137' ' ' ASP . 45.1 mt-10 -89.76 2.75 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.573 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.68 -59.3 4.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 171.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -90.41 64.0 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 24.9 t70 -79.27 -41.28 28.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.367 -173.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 138' ' ' LEU . 6.0 mp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.917 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.455 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 18.2 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.52 129.01 38.57 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 -108.71 24.57 12.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.711 -172.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.837 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.837 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.606 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 1' ' ' SER . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.496 HD22 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.649 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.72 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.72 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.564 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.487 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.553 HD22 HG21 ' A' ' 81' ' ' VAL . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.19 151.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -76.43 63.07 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.355 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.553 HG21 HD22 ' A' ' 71' ' ' LEU . 11.5 m -96.69 107.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.28 0.562 . . . . 0.0 110.66 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.54 115.73 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.447 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.52 79.96 0.32 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.911 -0.586 . . . . 0.0 113.11 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -68.47 -40.38 81.01 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -147.44 81.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.104 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -80.98 -179.76 7.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.205 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.1 mp -109.99 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.521 175.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.547 ' O ' HG21 ' A' ' 91' ' ' ILE . 46.3 m-80 -132.21 171.94 13.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.73 -37.05 75.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.968 0.413 . . . . 0.0 110.881 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 2.8 mptp? -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.883 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HG21 ' O ' ' A' ' 88' ' ' ASN . 13.2 tt -71.48 -15.15 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.488 HD11 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 99' ' ' MET . 26.7 m-70 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.564 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.647 ' H ' ' NE2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' HD22 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.458 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.531 ' HB3' HD22 ' A' ' 126' ' ' LEU . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 130' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 54.31 10.79 0.34 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -100.84 144.79 29.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 160.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.69 -21.4 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -80.41 -14.54 58.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.9 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 20.6 mmtp -107.24 -41.43 5.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.646 ' HA ' HD13 ' A' ' 124' ' ' LEU . 43.8 ttp180 -64.56 134.92 55.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.839 -174.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.9 m -64.69 83.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.87 162.38 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.717 -170.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.58 109.3 0.87 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.809 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.75 -2.72 21.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.146 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.93 96.97 4.47 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.31 164.55 24.75 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.32 -44.64 67.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.417 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.635 177.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.81 0.338 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.0 mtt -84.09 165.41 18.53 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 62.56 13.33 6.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.405 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.649 ' HA ' HG21 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.649 HG21 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 28' ' ' PHE . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.63 ' HB3' HD21 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG11 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.404 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 53' ' ' MET . 26.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.755 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.456 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.83 144.39 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.57 82.63 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.895 0.379 . . . . 0.0 110.627 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.28 145.35 33.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.637 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -81.67 163.61 22.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.612 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.35 54.31 4.87 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.348 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -84.26 140.06 31.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 171.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 p 45.94 68.97 0.51 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.467 0.651 . . . . 0.0 109.444 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -49.83 128.59 18.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.485 -170.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' ' 92' ' ' LEU . 74.0 mt -75.11 92.08 2.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.903 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -173.54 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.442 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -70.07 74.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.576 -173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 46.12 21.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.44 0.696 . . . . 0.0 112.695 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.493 HG21 ' HA ' ' A' ' 87' ' ' LEU . 12.8 tt -87.31 -24.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.013 -173.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 87' ' ' LEU . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.755 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 101' ' ' GLN . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.58 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.417 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.423 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 -85.64 64.42 8.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.0 -71.38 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.328 -1.306 . . . . 0.0 108.657 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -124.68 -153.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 50.62 0.86 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.344 0.592 . . . . 0.0 110.012 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -70.74 -30.35 66.85 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 27' ' ' ARG . 18.2 ttt180 -64.21 143.1 58.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 170.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 134' ' ' GLU . 3.4 m -55.32 102.07 0.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.589 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.41 68.16 5.76 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 167.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 136' ' ' GLU . 10.4 pt-20 -62.4 -174.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.498 -171.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.28 3.06 0.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.685 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 134' ' ' GLU . 41.5 tt0 -138.9 146.66 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -91.73 -78.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 110.314 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.93 177.638 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.499 0.19 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 tpt -178.04 149.47 0.56 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.774 0.43 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -67.82 85.03 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.421 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 112' ' ' LYS . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG13 HD12 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.778 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.778 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.773 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.773 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 22.3 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' HG3' ' OE1' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.412 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 107' ' ' ILE . 7.5 p -100.85 148.82 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -91.66 86.56 6.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.028 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 m -88.77 114.66 27.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.494 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -65.87 83.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.335 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -121.09 145.21 17.12 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.467 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -61.79 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 0.0 110.624 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB3' ' OD1' ' A' ' 88' ' ' ASN . 13.4 m -104.93 -25.9 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.619 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 61.21 -96.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.607 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HG ' ' A' ' 103' ' ' LEU . 5.8 mp -141.08 117.95 11.1 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 171.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.48 ' OD1' ' HB3' ' A' ' 85' ' ' SER . 20.1 m120 -92.51 98.64 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.761 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 15.12 -76.56 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.781 1.632 . . . . 0.0 114.499 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -64.09 -7.41 8.71 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.465 HG21 HD23 ' A' ' 92' ' ' LEU . 14.7 tt -67.17 -16.87 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.465 HD23 HG21 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.534 ' HG ' HD12 ' A' ' 87' ' ' LEU . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.466 HD11 HG23 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.539 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.674 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 129' ' ' LYS . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -75.87 -12.54 60.18 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -101.36 142.16 33.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.132 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.34 -28.04 61.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -68.13 -26.01 65.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.894 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 123' ' ' ASP . 23.9 mmtp -84.28 -14.56 49.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -86.7 140.05 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.2 m -91.29 -38.7 12.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.544 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -77.48 120.66 22.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.649 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -91.31 -71.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.08 140.95 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.4 117.81 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.045 0.45 . . . . 0.0 111.12 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -116.56 -20.9 9.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 89.66 8.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.101 0.477 . . . . 0.0 110.454 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.249 1.042 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.452 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.592 0.234 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -125.71 97.14 5.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 110.471 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -93.52 -2.28 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.235 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.543 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.669 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD12 HD21 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.518 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.672 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.669 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' HA ' HG13 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.526 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' HB2' ' HE3' ' A' ' 111' ' ' MET . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.446 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p -80.85 144.17 11.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -79.47 82.83 5.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.376 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.03 142.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.32 146.21 44.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.563 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.18 25.39 1.59 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.476 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -64.06 -39.61 94.45 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.302 0.572 . . . . 0.0 109.77 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.412 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 38.6 m -152.82 119.74 5.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.825 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -114.84 143.33 45.28 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 87' ' ' LEU . 4.7 mp -100.17 155.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 111.178 -175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.631 ' O ' HG21 ' A' ' 91' ' ' ILE . 25.6 t-20 -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.788 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -42.02 -42.99 3.03 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.155 0.582 . . . . 0.0 112.465 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -61.88 -33.59 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.631 HG21 ' O ' ' A' ' 88' ' ' ASN . 13.3 tt -75.45 -20.12 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.893 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 92' ' ' LEU . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.587 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.489 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HZ3' ' HB2' ' A' ' 102' ' ' LYS . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.578 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.11 52.41 2.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.77 -163.26 1.01 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.004 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 34.9 mtmm -108.35 13.16 25.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.461 . . . . 0.0 109.793 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.21 -84.81 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 65.5 mttp -78.18 120.16 22.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 166.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 24.6 tpt180 66.32 149.67 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -173.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 67.9 m -107.27 124.25 49.5 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.18 -0.325 . . . . 0.0 110.125 176.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -50.69 109.57 0.33 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.56 83.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.777 0.799 . . . . 0.0 111.311 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' HG3' ' HG2' ' A' ' 135' ' ' GLU . 14.1 pt-20 -75.97 -35.02 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.772 175.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HG2' ' HG3' ' A' ' 134' ' ' GLU . 72.9 mm-40 -107.48 155.3 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.5 -5.08 54.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.995 0.426 . . . . 0.0 110.503 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.11 118.8 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.838 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.605 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.1 mtt -86.98 77.04 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.065 0.459 . . . . 0.0 110.607 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -101.14 7.58 43.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' N ' HG21 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.709 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.709 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.781 ' HG3' HH11 ' A' ' 130' ' ' ARG . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.56 HD22 ' HG3' ' A' ' 111' ' ' MET . 32.9 t30 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 56' ' ' LYS . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.629 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' HE2' ' A' ' 53' ' ' MET . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.51 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 4.5 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.95 138.83 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -77.71 76.98 4.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.593 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 107' ' ' ILE . 13.2 m -73.92 82.01 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.112 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -74.13 100.5 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.545 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.45 -145.96 10.26 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -102.73 24.68 10.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.282 0.563 . . . . 0.0 110.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -87.59 97.36 10.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.345 -176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -134.68 120.98 20.17 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.199 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.3 mp -89.55 -33.09 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.432 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 57.29 -86.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.185 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' HB2' ' HD2' ' A' ' 90' ' ' LYS . 56.3 mt-10 -148.16 -59.3 0.25 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.316 -174.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 2.5 mptp? -59.9 -27.47 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -163.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.7 tt -81.21 -18.96 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 87' ' ' LEU . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.629 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 99' ' ' MET . 28.0 m-70 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.657 ' H ' ' NE2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 81' ' ' VAL . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.56 ' HG3' HD22 ' A' ' 40' ' ' ASN . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 121' ' ' LYS . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.528 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -55.11 -25.51 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -97.57 154.9 17.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.218 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.585 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 68.6 mttm -81.33 5.89 15.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.449 0.643 . . . . 0.0 109.74 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.76 -33.45 73.92 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.951 172.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 124' ' ' LEU . 73.9 mmtt -97.62 -49.01 5.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.434 175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.781 HH11 ' HG3' ' A' ' 30' ' ' GLU . 2.2 tpm_? -61.5 96.53 0.06 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.981 174.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.4 m -69.81 97.15 1.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.193 -169.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.477 ' HG3' ' HD3' ' A' ' 127' ' ' LYS . 4.0 mm-40 -85.79 -69.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.46 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -116.04 66.19 0.7 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.63 -172.16 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.79 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.88 -169.45 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.53 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.73 -35.52 24.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.298 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -68.51 117.61 10.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.927 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.651 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.966 0.412 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 58.5 mtt -75.31 88.59 2.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.321 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -71.15 -49.9 39.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.801 ' H ' HD13 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.427 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.443 ' CB ' HD12 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.634 ' HB2' HD21 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 37' ' ' SER . 14.9 t30 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.567 ' HB3' ' HE3' ' A' ' 53' ' ' MET . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.642 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.642 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.515 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 49.9 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.39 150.93 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.45 48.44 1.58 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.928 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG11 ' HG ' ' A' ' 110' ' ' LEU . 29.1 m -81.78 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.685 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.32 -29.46 66.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.28 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.69 23.12 7.32 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.21 110.17 1.78 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.1 t -132.42 86.62 2.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.935 0.397 . . . . 0.0 111.119 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -91.26 -5.09 55.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.557 0.694 . . . . 0.0 109.828 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HA ' HG23 ' A' ' 91' ' ' ILE . 89.6 mt -71.74 176.8 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.242 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.675 ' H ' HD21 ' A' ' 92' ' ' LEU . 9.4 t30 72.63 -59.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.7 0.8 . . . . 0.0 111.175 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.53 91.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 123.532 0.733 . . . . 0.0 111.834 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 42.74 33.5 0.48 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.094 0.958 . . . . 0.0 113.355 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.637 HG23 ' HA ' ' A' ' 87' ' ' LEU . 14.5 tt -120.67 -30.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.787 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.675 HD21 ' H ' ' A' ' 88' ' ' ASN . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.515 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.449 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.524 ' HE3' HG12 ' A' ' 91' ' ' ILE . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.705 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.5 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.501 ' HG ' HG11 ' A' ' 81' ' ' VAL . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 115' ' ' SER . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.705 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.705 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.0 -11.82 61.16 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.6 mm? -102.9 137.56 40.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.513 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 93.7 mttt -75.2 -18.39 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -60.61 -24.08 65.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.977 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 23.6 tptm -105.06 -34.93 7.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.514 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 130' ' ' ARG . 21.6 ttp-105 -128.03 96.04 4.36 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.126 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 133' ' ' GLU . 20.0 m -92.71 140.29 29.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.161 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.41 -32.72 74.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 109.507 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 131' ' ' THR . 29.6 mt-10 -70.85 91.65 0.86 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.459 175.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -52.3 118.06 3.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.735 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 136' ' ' GLU . 40.7 tt0 -72.51 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.525 -177.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 135' ' ' GLU . 8.0 mm-40 67.09 135.51 0.03 OUTLIER 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.986 0.804 . . . . 0.0 111.35 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.12 110.53 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.184 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.413 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.484 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -68.16 -60.44 2.47 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.49 135.27 53.99 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.769 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HZ1' ' HB3' ' A' ' 10' ' ' LYS . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.666 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.666 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.548 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HB2' HD13 ' A' ' 18' ' ' LEU . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.665 HH11 ' HG2' ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' HE2' ' HG2' ' A' ' 129' ' ' LYS . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HA ' HG13 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' SER . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.615 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.497 ' HA ' HD22 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.415 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 72' ' ' SER . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.644 ' HG2' HG11 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.644 HG11 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p -160.16 154.89 4.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.39 81.97 0.15 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -140.7 -172.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 110.967 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -23.89 14.43 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.567 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.25 142.71 19.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -93.16 -87.52 0.23 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -82.63 77.94 9.32 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' HB2' HD11 ' A' ' 87' ' ' LEU . 68.6 mtp180 -75.73 -30.76 59.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.607 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD12 ' HG ' ' A' ' 103' ' ' LEU . 3.9 mp -142.25 124.68 15.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.354 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 91' ' ' ILE . 2.8 m-20 -86.21 144.96 27.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 92' ' ' LEU . 39.9 mt-10 -54.35 -26.24 28.79 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -33.68 76.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 88' ' ' ASN . 13.7 tt -74.66 -18.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 91' ' ' ILE . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.454 ' HD3' ' HE3' ' A' ' 59' ' ' MET . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.543 ' HG ' HD12 ' A' ' 87' ' ' LEU . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.618 ' HG3' HD22 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.689 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 121' ' ' LYS . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.58 -4.52 46.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 126' ' ' LEU . 2.4 mm? -123.5 171.95 9.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.409 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -81.85 -1.1 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.094 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -63.5 -41.47 98.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.151 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.546 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 23.9 tptp -103.04 -26.81 12.92 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.563 0.696 . . . . 0.0 109.278 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 130' ' ' ARG . 16.2 ttt180 -88.73 67.74 8.42 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.997 173.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.1 p -75.58 98.89 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.77 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.63 -42.15 13.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.529 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -90.08 75.65 7.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.095 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.94 160.59 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.116 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.2 -35.53 79.16 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.068 0.461 . . . . 0.0 110.792 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.58 57.88 3.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.383 0.611 . . . . 0.0 109.459 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.31 -48.67 78.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.874 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.415 175.263 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.46 ' HB3' ' SD ' ' A' ' 2' ' ' MET . 20.4 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.46 ' SD ' ' HB3' ' A' ' 1' ' ' SER . 0.9 OUTLIER -116.85 106.7 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 85.85 2.96 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 -170.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.589 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.604 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.604 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.663 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.583 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.486 HD22 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB2' ' HE2' ' A' ' 111' ' ' MET . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HE1' ' A' ' 53' ' ' MET . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE1' ' HB2' ' A' ' 95' ' ' PRO . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.747 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 26.9 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.509 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.487 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.476 ' HA ' HH22 ' A' ' 86' ' ' ARG . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.18 144.55 32.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -74.72 87.72 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.011 0.434 . . . . 0.0 110.859 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG21 ' HG ' ' A' ' 71' ' ' LEU . 17.2 m -116.63 114.93 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.961 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -125.37 -61.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.519 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.03 -92.18 0.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.592 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -95.97 -31.3 13.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.832 0.349 . . . . 0.0 110.112 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.5 t 175.84 149.01 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.476 HH22 ' HA ' ' A' ' 73' ' ' SER . 44.1 mtp85 -60.57 135.19 57.68 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 6.8 mp -68.78 -3.5 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.755 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -68.36 -5.64 19.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.98 46.96 0.95 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.066 0.46 . . . . 0.0 110.804 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 52.48 13.85 0.34 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.205 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt -73.26 -20.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.747 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.486 HE21 ' HA ' ' A' ' 101' ' ' GLN . 43.1 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.486 ' HG3' HD22 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.731 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.731 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.559 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 129' ' ' LYS . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -73.49 -12.59 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -114.41 -177.38 3.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.057 -174.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.76 14.86 7.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.633 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.21 -41.21 98.16 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.466 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 25.6 tptp -156.91 159.06 37.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 0.1 OUTLIER 75.83 -0.97 3.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.569 0.7 . . . . 0.0 110.041 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -170.48 1.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.859 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.23 63.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.398 0.618 . . . . 0.0 109.489 173.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.457 ' CD ' ' HZ1' ' A' ' 129' ' ' LYS . 9.2 pt-20 -82.26 -27.4 32.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.656 -175.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.31 85.37 1.44 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.014 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.686 ' HG2' ' H ' ' A' ' 136' ' ' GLU . 23.1 tt0 -83.12 -177.34 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.707 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.686 ' H ' ' HG2' ' A' ' 135' ' ' GLU . 22.8 mt-10 -56.99 -61.74 2.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.131 0.491 . . . . 0.0 109.956 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.96 106.12 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.534 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.42 ' H2 ' ' CD ' ' A' ' 132' ' ' GLU . 29.6 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.467 0.175 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -138.02 73.99 1.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -91.23 -11.47 38.16 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 164.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.535 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.486 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.629 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HB2' HD12 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.728 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.519 ' HB ' HD11 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.683 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.424 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.495 HG11 HG12 ' A' ' 81' ' ' VAL . 2.5 p -92.33 147.02 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -67.15 88.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 HG12 HG11 ' A' ' 79' ' ' VAL . 15.1 m -102.99 120.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.465 0.65 . . . . 0.0 111.633 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 106' ' ' GLN . 9.6 pt-20 -110.4 -165.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.421 172.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 150.71 163.9 11.6 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.362 -0.923 . . . . 0.0 113.209 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -80.44 -30.68 37.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.281 0.562 . . . . 0.0 109.647 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 m -121.72 90.91 3.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.101 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -80.21 172.04 14.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HA ' HG23 ' A' ' 91' ' ' ILE . 2.6 mm? -72.84 80.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.877 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER -102.13 111.37 23.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.195 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 29.49 -82.07 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.848 1.259 . . . . 0.0 113.966 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' ASN . 91.9 mttt -54.3 -35.17 62.34 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.351 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.57 HG23 ' HA ' ' A' ' 87' ' ' LEU . 13.7 tt -66.63 -22.52 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 -176.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 87' ' ' LEU . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.452 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.451 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.521 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.586 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.555 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.539 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.728 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.423 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.535 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 75.0 m-85 -67.94 -29.57 68.67 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 126' ' ' LEU . 2.1 mm? -96.65 137.46 35.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.627 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -84.82 -6.14 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 109.737 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 49.3 tptt -84.72 -46.89 10.99 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.504 ' NH2' ' HG2' ' A' ' 134' ' ' GLU . 62.7 ttt-85 -159.39 111.69 2.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.845 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.467 HG21 ' H ' ' A' ' 133' ' ' GLU . 28.1 m -68.04 149.6 49.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 37.7 tt0 -55.9 -41.3 74.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.467 ' H ' HG21 ' A' ' 131' ' ' THR . 16.0 mt-10 -72.26 98.17 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 166.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 29.8 mt-10 -46.35 141.62 3.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -165.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 137' ' ' ASP . 30.7 mm-40 -49.29 128.16 16.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.688 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.48 17.94 0.35 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.811 0.339 . . . . 0.0 111.325 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 135' ' ' GLU . 23.6 t70 -67.19 -16.8 64.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 177.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.723 179.301 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.8 tpp -61.42 106.3 0.62 Allowed 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' NE2' ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 -68.09 87.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.515 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' HG23 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.562 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.705 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 133' ' ' GLU . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.618 ' HB3' HD21 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.59 ' HB3' ' HE2' ' A' ' 53' ' ' MET . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HZ3' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.59 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.504 ' HB3' ' O ' ' A' ' 77' ' ' SER . 5.7 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.12 143.3 13.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -76.42 73.22 3.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 107' ' ' ILE . 24.5 m -88.92 -39.92 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.805 0.812 . . . . 0.0 109.819 172.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -160.6 -43.54 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.139 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 127.65 -19.03 5.94 Favored Glycine 0 C--N 1.331 0.253 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -173.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.86 144.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.747 -0.726 . . . . 0.0 109.07 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.3 m -81.98 135.13 35.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.64 -10.8 55.44 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.187 0.517 . . . . 0.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 87' ' ' LEU . 2.5 mm? -76.11 76.56 2.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.134 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -109.97 -165.92 1.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.456 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 64.62 16.78 10.54 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.242 0.339 . . . . 0.0 110.926 175.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 47.3 mtmt 57.69 31.57 20.6 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.83 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -61.63 -21.61 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 99' ' ' MET . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.706 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.551 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.705 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 -70.73 -16.43 62.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -101.36 -171.22 1.95 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.16 -176.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 54.7 pttt -84.61 -12.28 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.975 0.417 . . . . 0.0 110.262 173.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -65.97 124.71 23.27 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 66.8 mttm 67.44 5.41 4.29 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.482 0.488 . . . . 0.0 111.426 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 130' ' ' ARG . 66.1 ttt180 -106.62 -2.6 21.61 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.3 p -50.98 -59.34 4.25 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.804 ' HG3' ' H ' ' A' ' 133' ' ' GLU . 7.3 pt-20 -170.73 -86.27 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.229 170.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.804 ' H ' ' HG3' ' A' ' 132' ' ' GLU . 40.2 mt-10 -133.52 154.2 51.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.614 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 11.5 mm-40 -82.24 69.08 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.181 0.515 . . . . 0.0 110.098 -174.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 62.65 105.08 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.541 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.81 87.43 1.29 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.83 134.01 52.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.019 -171.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.451 176.424 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.426 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 85.7 mtp -68.93 115.66 8.5 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.716 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 -70.69 -15.04 62.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.61 -175.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 2' ' ' MET . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.716 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.682 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HD22 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' HB2' HD13 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB2' HD23 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HA ' HG13 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.428 ' HB2' HD12 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.475 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.768 HD13 HD21 ' A' ' 87' ' ' LEU . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB3' ' O ' ' A' ' 72' ' ' SER . 11.4 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.92 141.99 17.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -77.95 67.16 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.176 0.512 . . . . 0.0 110.36 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 m -93.1 110.84 23.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.972 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.482 ' HG2' ' HD2' ' A' ' 86' ' ' ARG . 33.7 mt-10 -142.56 165.85 26.27 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.052 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 106' ' ' GLN . . . 150.96 -100.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -71.87 -58.06 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.7 m -156.28 161.91 40.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.593 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HD2' ' HG2' ' A' ' 82' ' ' GLU . 56.8 mtp85 -106.56 -158.14 0.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.768 HD21 HD13 ' A' ' 71' ' ' LEU . 3.1 mm? -75.2 72.36 2.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.942 0.877 . . . . 0.0 109.852 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -125.45 -163.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.114 -1.403 . . . . 0.0 107.612 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.4 21.66 10.04 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.092 0.405 . . . . 0.0 110.53 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 47.88 40.02 11.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.9 tt -55.47 -25.01 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.773 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 100' ' ' PHE . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.502 ' HA ' HD21 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.734 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 27.4 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.629 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.536 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.466 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.682 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 -53.39 -26.11 18.28 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -87.24 126.37 34.78 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 131' ' ' THR . 62.4 mttm -75.9 -10.18 59.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.91 -13.87 61.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.093 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 122' ' ' SER . 68.3 mttm -93.55 -47.73 6.7 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.706 HH12 ' HB2' ' A' ' 134' ' ' GLU . 1.4 tpm_? -144.01 105.6 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.513 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.488 ' HA ' ' HB3' ' A' ' 127' ' ' LYS . 16.8 p -50.74 -65.28 0.58 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.633 -178.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -145.57 175.0 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.158 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.12 79.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.881 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.706 ' HB2' HH12 ' A' ' 130' ' ' ARG . 85.5 mt-10 -100.11 75.95 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.115 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.04 -30.18 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.54 0.686 . . . . 0.0 109.513 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -32.43 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.181 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 134' ' ' GLU . 34.8 t70 -77.62 107.3 9.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.522 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.638 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 3' ' ' GLN . 26.7 ttt -156.32 107.63 2.46 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.643 0.259 . . . . 0.0 111.673 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 2' ' ' MET . 29.9 pt20 175.34 -24.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.044 173.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.459 HG21 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 111' ' ' MET . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.594 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.588 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HA ' HG11 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.687 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.687 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.645 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.695 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.569 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.402 HG13 HG13 ' A' ' 81' ' ' VAL . 6.1 p -70.04 146.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -77.44 75.94 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.772 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG13 HG13 ' A' ' 79' ' ' VAL . 6.9 m -89.14 81.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.472 0.653 . . . . 0.0 110.617 176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -82.81 157.68 23.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.845 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.4 178.12 23.26 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.869 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.2 -29.15 34.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 109.967 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.427 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 64.7 m -97.66 118.98 35.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.815 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HA ' HD11 ' A' ' 103' ' ' LEU . 22.7 ttt85 -143.37 175.16 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 87' ' ' LEU . 2.4 mm? -76.57 74.5 3.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.483 0.659 . . . . 0.0 110.484 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -132.19 -170.79 2.48 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.778 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 59.95 30.89 20.38 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.224 0.327 . . . . 0.0 110.498 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HB3' ' CG ' ' A' ' 93' ' ' GLU . 93.9 mttt 46.27 49.71 12.63 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.731 0.777 . . . . 0.0 110.742 -176.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt -65.71 -23.08 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.797 -174.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 90' ' ' LYS . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.63 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.611 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.674 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 28.1 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.498 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.619 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.52 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.474 ' HB3' ' NE ' ' A' ' 130' ' ' ARG . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.541 ' O ' HD11 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 -78.25 21.85 0.34 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -115.15 -165.49 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.05 -38.44 27.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.678 0.751 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -125.5 155.77 40.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.336 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -65.14 139.68 58.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.2 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.474 ' NE ' ' HB3' ' A' ' 123' ' ' ASP . 37.9 mtm180 -52.13 135.59 31.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.995 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -62.36 113.07 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.085 0.469 . . . . 0.0 111.425 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -119.09 -165.0 1.09 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.18 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -107.89 101.35 10.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.518 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -72.57 -12.21 60.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.384 0.611 . . . . 0.0 109.512 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -84.81 155.5 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.263 171.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.17 130.31 46.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 0.0 110.65 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.34 117.7 4.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.746 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.247 -178.189 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.876 0.369 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -138.1 142.16 40.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -126.77 141.17 51.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.724 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.724 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.675 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HB2' HD12 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.531 ' NH2' ' HZ2' ' A' ' 33' ' ' LYS . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.651 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HZ2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.684 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.444 ' HB2' ' HE3' ' A' ' 111' ' ' MET . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.471 ' HE3' ' OE1' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' OE1' ' HE3' ' A' ' 53' ' ' MET . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.471 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.524 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.408 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.742 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.425 HG13 HG11 ' A' ' 81' ' ' VAL . 1.8 p -102.88 146.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -67.91 93.3 0.4 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.482 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG11 HG13 ' A' ' 79' ' ' VAL . 35.2 m -113.97 -179.67 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -100.74 108.73 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.154 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.68 72.91 1.71 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.272 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -69.25 -76.16 0.1 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 110.062 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -86.21 89.21 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.558 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.03 118.81 8.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.132 0.492 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.824 ' HA ' HG23 ' A' ' 91' ' ' ILE . 4.6 mp -81.39 92.81 6.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.875 -171.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -174.17 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.66 92.61 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.967 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 48.96 30.07 2.63 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.824 HG23 ' HA ' ' A' ' 87' ' ' LEU . 8.3 tt -93.62 -56.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.111 -177.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD11 HD23 ' A' ' 87' ' ' LEU . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.639 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.407 HE22 ' HB ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 81' ' ' VAL . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.665 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.651 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 -80.28 43.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.63 -163.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -81.83 -48.9 11.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.455 ' HD2' ' HG3' ' A' ' 129' ' ' LYS . 35.4 t60 -72.19 139.14 48.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.762 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' HG3' ' HD2' ' A' ' 128' ' ' HIS . 68.5 mttm 78.43 -2.36 2.39 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.363 0.665 . . . . 0.0 112.354 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 124' ' ' LEU . 48.4 tpt85 -136.72 -66.16 0.54 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.251 -0.179 . . . . 0.0 111.298 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.8 m -65.29 -41.49 94.09 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.1 78.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.765 169.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.8 -31.0 69.3 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -93.72 76.33 4.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.01 -26.31 61.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.85 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -88.59 148.81 23.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.06 -51.94 62.5 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.595 172.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.595 ' N ' ' HB3' ' A' ' 132' ' ' GLU . 15.9 m . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 120.515 0.198 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.0 mtt -120.16 -65.51 1.15 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 -61.12 -29.61 69.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.077 -174.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.55 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CE3' HD22 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD2' ' HE3' ' A' ' 53' ' ' MET . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 12.9 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.421 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t -58.75 151.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.02 70.01 0.76 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.464 0.65 . . . . 0.0 110.709 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG21 HH11 ' A' ' 86' ' ' ARG . 14.8 m -98.19 107.23 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.57 179.97 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.916 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.37 151.08 26.15 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.51 -56.82 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.398 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m -83.5 73.5 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.091 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.513 HH11 HG21 ' A' ' 81' ' ' VAL . 61.7 mtm180 -94.54 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.51 85.48 2.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.737 -1.574 . . . . 0.0 107.603 170.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 91' ' ' ILE . 3.8 p-10 -76.69 179.4 6.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.851 -172.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.53 127.66 28.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.056 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.507 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 62.3 mttm 51.8 25.68 3.1 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.796 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ASN . 12.6 tt -76.63 -23.34 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' HE3' ' A' ' 99' ' ' MET . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE2' ' HG2' ' A' ' 90' ' ' LYS . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.463 ' HE3' HD12 ' A' ' 92' ' ' LEU . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HA ' HD21 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.631 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.711 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.628 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.628 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.533 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 123' ' ' ASP . 22.8 m-85 -60.23 -20.86 60.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 126' ' ' LEU . 2.9 mm? -94.64 146.14 24.35 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.653 -176.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.758 ' HG2' ' HB2' ' A' ' 132' ' ' GLU . 95.6 mttt -77.7 -14.78 59.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 109.914 -177.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -94.51 22.22 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 124' ' ' LEU . 32.2 mmtm -127.69 -45.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.669 171.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.488 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 53.0 ttt85 -137.82 137.86 38.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.031 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -67.5 82.02 0.16 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.242 0.544 . . . . 0.0 110.583 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.758 ' HB2' ' HG2' ' A' ' 127' ' ' LYS . 57.4 mm-40 -82.35 100.66 10.1 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.828 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 51.76 -160.9 0.09 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.522 0.514 . . . . 0.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.49 -93.95 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -119.82 -175.5 2.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 110.798 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -82.22 82.82 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.382 0.61 . . . . 0.0 111.275 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -115.73 11.3 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.59 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.175 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.432 -176.238 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.594 0.235 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.04 -29.38 68.35 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.384 -0.197 . . . . 0.0 111.42 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.39 -2.84 9.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.684 HD11 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.513 ' HE3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.523 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.557 ' HB2' HD23 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.685 ' HA ' HG11 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.727 HD22 ' HG3' ' A' ' 111' ' ' MET . 15.4 t30 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.68 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.68 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.632 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 81' ' ' VAL . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -109.08 135.16 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -89.46 82.17 6.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.82 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG22 HD21 ' A' ' 71' ' ' LEU . 30.6 m -87.83 40.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.924 173.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.73 97.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.385 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.35 -108.21 2.87 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.79 87.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m 59.8 -81.11 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.598 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -177.97 155.28 0.96 Allowed 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 5.2 mp -80.79 -61.02 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 110.464 -175.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 58.86 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.954 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -134.02 -48.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -48.56 -59.7 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.857 -169.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.29 -16.7 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 92' ' ' LEU . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.487 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 23.0 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.727 ' HG3' HD22 ' A' ' 40' ' ' ASN . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.667 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.57 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.554 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.611 ' HB3' ' HB3' ' A' ' 130' ' ' ARG . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 -71.57 -16.15 62.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 126' ' ' LEU . 2.6 mm? -105.53 157.2 17.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.409 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 95.7 mttt -89.02 -30.95 18.34 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.839 0.352 . . . . 0.0 110.282 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -69.88 -25.12 63.56 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 109.594 171.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.568 ' HG3' ' H ' ' A' ' 130' ' ' ARG . 45.8 tptt -80.7 -178.9 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 169.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.611 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 14.4 ptt180 50.58 16.26 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p 42.76 82.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.469 ' HG3' ' HG3' ' A' ' 130' ' ' ARG . 62.8 mt-10 -140.71 -40.51 0.41 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 68.58 153.09 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.637 0.586 . . . . 0.0 109.584 -171.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -83.88 -62.12 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.312 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.58 -33.11 1.1 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.27 -169.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.92 154.69 29.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.111 0.482 . . . . 0.0 111.683 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.75 140.98 49.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.753 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.096 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.529 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.548 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 13' ' ' ALA . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 41' ' ' VAL . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' VAL . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.58 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LYS . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.575 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 49.5 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.449 HG23 HD22 ' A' ' 92' ' ' LEU . 10.8 tt . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.449 HD22 HG23 ' A' ' 91' ' ' ILE . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.722 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.554 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 30.4 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 31' ' ' PHE . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 . . . . . 0 C--O 1.236 0.376 0 CA-C-O 120.877 0.37 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.844 ' HA ' HG23 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.844 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' ALA . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.647 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.803 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.803 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.717 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 56.8 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 40' ' ' ASN . 2.4 p . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 92' ' ' LEU . 15.6 tt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.717 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.654 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.709 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 . . . . . 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.48 0.181 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 44' ' ' TRP . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.583 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.643 ' HB3' HD22 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.712 ' HA ' HG12 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.4 t-20 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 19' ' ' LEU . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.416 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 71' ' ' LEU . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.493 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.493 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.738 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.738 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 92' ' ' LEU . 16.2 tt . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.676 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.527 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HA ' HG11 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' HB3' ' O ' ' A' ' 37' ' ' SER . 1.2 t-20 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.511 HG11 ' HA ' ' A' ' 29' ' ' ARG . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.829 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.829 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 56.8 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.654 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 48.6 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 107' ' ' ILE . 7.2 p . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.542 ' HG3' HD22 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 103' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.728 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.727 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.551 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.676 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 124' ' ' LEU . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.645 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.726 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.4 t-20 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 11.6 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.473 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 99.6 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.615 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 92' ' ' LEU . 9.9 tt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 100' ' ' PHE . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.49 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 115' ' ' SER . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.645 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.729 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.889 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.889 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.457 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.519 HD21 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.731 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.473 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.517 HG23 HD12 ' A' ' 92' ' ' LEU . 13.2 tt . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 99' ' ' MET . 32.8 m80 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 98' ' ' LEU . 3.7 pm0 -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.519 ' HG3' HD21 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.704 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.595 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.404 ' H ' ' HB3' ' A' ' 124' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.479 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.823 0.344 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 15' ' ' LEU . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' HG12 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.784 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.471 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 HD22 ' A' ' 92' ' ' LEU . 12.8 tt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.61 0.243 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 91' ' ' ILE . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.784 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.576 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 107' ' ' ILE . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.6 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.683 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.43 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 18' ' ' LEU . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.521 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.422 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.785 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.785 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.801 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.801 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 96.4 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' HE21 ' A' ' 60' ' ' GLN . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.677 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 107' ' ' ILE . 7.5 p . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.53 HG23 HD22 ' A' ' 92' ' ' LEU . 14.7 tt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.497 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.534 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.685 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.684 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.684 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.626 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 92' ' ' LEU . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.461 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 63' ' ' ALA . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.508 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.6 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.438 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 13' ' ' ALA . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 45' ' ' LEU . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.664 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.471 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 25' ' ' VAL . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.524 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 29.9 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' ' 99' ' ' MET . 35.2 m80 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LYS . 5.3 pm0 -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.726 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.55 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.813 HD12 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 5' ' ' LEU . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.813 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.451 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.629 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.674 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CB ' HD11 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 30' ' ' GLU . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB2' HD22 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.1 t-20 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.673 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.673 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 55' ' ' ASP . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.507 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 55.5 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.508 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 39' ' ' GLU . 7.4 p . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.413 HG23 HD22 ' A' ' 92' ' ' LEU . 14.5 tt . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.413 HD22 HG23 ' A' ' 91' ' ' ILE . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 103' ' ' LEU . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 99' ' ' MET . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.72 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.9 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--O 1.236 0.361 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.767 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.719 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.555 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 115' ' ' SER . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.684 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' HB2' HD22 ' A' ' 124' ' ' LEU . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.649 ' HB2' HD22 ' A' ' 32' ' ' LEU . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HG12 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.664 HD21 ' HG3' ' A' ' 111' ' ' MET . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' LEU . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 59' ' ' MET . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.629 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.64 ' HG2' HG12 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG12 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p . . . . . 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.442 HG23 HD22 ' A' ' 92' ' ' LEU . 13.7 tt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.442 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.569 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 20.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.429 ' CD1' HG21 ' A' ' 8' ' ' THR . 2.1 m-85 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.603 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.653 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.653 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.613 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.77 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 98.8 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 100' ' ' PHE . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.523 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' HB2' HD22 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.77 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 107' ' ' ILE . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.75 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.58 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.483 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' CG1' HD11 ' A' ' 45' ' ' LEU . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.74 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 25' ' ' VAL . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.694 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 ' HB1' ' A' ' 46' ' ' ALA . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' SER . 2.5 pt20 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.499 HG23 HD22 ' A' ' 92' ' ' LEU . 13.7 tt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD22 HG23 ' A' ' 91' ' ' ILE . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.488 ' H ' ' HG2' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.488 ' HG2' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.424 ' HA ' HG22 ' A' ' 107' ' ' ILE . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.545 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.6 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.6 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.74 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.532 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.52 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 75.0 m-85 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.584 HE21 ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.469 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.643 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB3' HE21 ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' A' ' 3' ' ' GLN . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 41' ' ' VAL . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.624 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.571 ' HA ' HG12 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' HA ' ' NZ ' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' SER . 41.6 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.936 0.398 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.696 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.719 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.693 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.724 ' HB2' HD11 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' HD22 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.491 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 72' ' ' SER . 19.9 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 92' ' ' LEU . 10.9 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 91' ' ' ILE . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.617 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.523 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.51 ' HA ' HD23 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.737 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 116' ' ' TYR . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.505 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.693 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 121.228 0.537 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.703 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.703 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.657 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.657 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.592 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' LYS . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.473 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.647 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.691 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.647 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.688 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 107' ' ' ILE . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.628 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 . . . . . 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.517 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.708 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' A' ' 58' ' ' GLN . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.756 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.756 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.429 HG23 ' H ' ' A' ' 92' ' ' LEU . 8.3 tt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.211 0.053 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.429 ' H ' HG23 ' A' ' 91' ' ' ILE . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.677 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' CG ' HH12 ' A' ' 118' ' ' ARG . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.676 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.409 HH12 ' CG ' ' A' ' 114' ' ' ASP . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.458 0.647 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.554 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HB2' HD11 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.493 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE3' HD23 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 82.6 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HD22 ' A' ' 92' ' ' LEU . 12.6 tt . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HA ' HD23 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.566 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.732 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.566 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.732 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.629 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.538 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 22.8 m-85 . . . . . 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.748 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.596 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.533 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.693 ' HA ' HG12 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.1 t-20 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.684 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.661 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 43' ' ' PHE . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.409 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 92' ' ' LEU . 14.2 tt . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.451 HD12 HG23 ' A' ' 91' ' ' ILE . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 73.5 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.69 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.487 ' OG ' ' HE3' ' A' ' 121' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.524 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.626 0.25 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.2 mtt -95.62 8.85 42.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.529 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 -77.08 102.99 6.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.605 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.548 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 13' ' ' ALA . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 41' ' ' VAL . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' VAL . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LYS . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.575 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 7.8 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 81' ' ' VAL . 3.1 p -78.45 139.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.67 79.07 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.482 0.658 . . . . 0.0 111.549 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 79' ' ' VAL . 30.3 m -144.43 -170.67 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.776 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 86' ' ' ARG . 36.6 tt0 -63.29 107.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.191 174.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.22 -43.44 0.04 OUTLIER Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.185 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -35.49 -64.99 0.26 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 112.988 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -114.14 24.18 12.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.21 0.528 . . . . 0.0 110.207 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.657 ' HG3' HD12 ' A' ' 87' ' ' LEU . 11.9 tpt180 -101.43 162.3 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.509 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.2 mp 62.63 -79.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.007 0.523 . . . . 0.0 111.398 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.474 ' O ' HG22 ' A' ' 91' ' ' ILE . 46.5 m-80 64.91 153.16 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 37.5 mt-10 -52.77 -25.79 12.33 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -55.96 -31.27 62.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.055 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 88' ' ' ASN . 10.8 tt -91.1 -23.57 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD22 HG23 ' A' ' 91' ' ' ILE . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.722 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.554 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 30.4 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' O ' ' HD2' ' A' ' 129' ' ' LYS . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 130' ' ' ARG . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 -69.49 -13.28 62.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.5 mm? -103.73 143.25 33.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.434 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -76.22 -15.61 60.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.966 0.412 . . . . 0.0 109.923 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -77.95 -8.74 58.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.703 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 123' ' ' ASP . 67.7 mttm -114.25 -52.85 2.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.658 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 1.9 tmt_? -83.47 111.87 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.3 m -71.1 92.11 0.95 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -168.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 130' ' ' ARG . 36.4 tt0 -111.96 -57.73 2.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 165.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 63.69 -75.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.471 171.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.65 153.35 32.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 111.753 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.43 160.78 17.39 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.738 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.88 -40.98 68.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 t70 38.39 -87.41 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.311 1.007 . . . . 0.0 113.258 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.576 -179.026 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.414 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ttt -67.34 -45.11 77.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.302 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.23 142.33 54.23 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.14 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.844 ' HA ' HG23 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.844 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' ALA . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.647 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.803 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.803 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.717 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 56.8 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.513 HG13 HG13 ' A' ' 81' ' ' VAL . 2.4 p -80.65 142.93 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.39 84.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.4 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG13 HG13 ' A' ' 79' ' ' VAL . 28.0 m -100.96 179.34 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.33 96.64 1.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.3 -85.28 1.14 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.036 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -152.76 173.97 14.61 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -68.92 97.21 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.396 0.617 . . . . 0.0 110.435 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.33 -1.23 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.8 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 87' ' ' LEU . 5.5 mp -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.28 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.5 t30 58.58 -89.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.504 -1.225 . . . . 0.0 112.506 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -143.26 -61.36 0.42 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -75.43 70.92 2.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.682 0.753 . . . . 0.0 111.443 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 92' ' ' LEU . 15.6 tt -161.31 -30.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.722 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.717 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.654 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.709 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.4 mm? -83.66 126.59 33.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.025 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.46 -27.88 65.62 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.526 ' O ' ' HA ' ' A' ' 132' ' ' GLU . 11.3 t-80 -78.63 -8.16 58.37 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.42 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 129' ' ' LYS . 70.9 mmtt -100.29 -30.47 11.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.436 ' NH2' ' OG ' ' A' ' 4' ' ' SER . 18.7 ttm180 -73.14 -58.48 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.5 m -103.92 100.23 10.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 169.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 128' ' ' HIS . 46.0 mt-10 -67.76 -17.78 64.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.43 -172.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -86.73 138.53 31.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.21 24.01 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -104.12 104.34 14.26 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.99 86.64 0.25 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 111.256 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.14 104.39 12.44 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.494 -174.027 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ttt -155.81 151.34 27.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.921 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -76.2 11.4 1.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.458 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 44' ' ' TRP . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.583 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.643 ' HB3' HD22 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.712 ' HA ' HG12 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.4 t-20 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 19' ' ' LEU . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.416 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.493 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.493 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.738 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.738 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 81' ' ' VAL . 7.3 p -79.57 148.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.82 88.6 3.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 -177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 79' ' ' VAL . 31.1 m -101.52 149.76 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.68 -22.85 37.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.669 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.43 10.29 85.5 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.668 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.158 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -136.53 110.71 8.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.384 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 86' ' ' ARG . 27.1 mtm180 -105.52 158.39 16.7 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.528 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HG21 ' A' ' 91' ' ' ILE . 4.6 mp -101.5 125.11 48.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.516 -172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -174.5 -56.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.886 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.46 92.25 0.43 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.863 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 50.02 17.3 0.29 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 92' ' ' LEU . 16.2 tt -94.94 -27.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 90' ' ' LYS . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.676 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.483 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 -72.68 -15.14 61.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 129' ' ' LYS . 2.2 mm? -98.57 142.89 29.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.552 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -76.02 -18.17 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.363 0.601 . . . . 0.0 109.521 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.62 -20.86 17.38 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.883 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 122' ' ' SER . 58.0 tptt -64.76 -38.22 90.24 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -121.18 98.38 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 33.6 p -52.02 101.23 0.03 OUTLIER 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.373 0.421 . . . . 0.0 110.771 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.98 128.64 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.44 97.1 2.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.41 0.624 . . . . 0.0 110.111 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.96 -165.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.555 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -47.42 104.64 0.06 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.948 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.47 140.61 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.389 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -104.8 152.13 22.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.755 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.448 -177.209 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.259 0.096 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.22 -10.59 59.99 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -100.85 8.08 43.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.527 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HA ' HG11 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' HB3' ' O ' ' A' ' 37' ' ' SER . 1.2 t-20 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.511 HG11 ' HA ' ' A' ' 29' ' ' ARG . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.829 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.829 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 56.8 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.654 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 48.6 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 107' ' ' ILE . 7.2 p -89.12 157.64 3.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -71.2 82.37 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.283 0.563 . . . . 0.0 111.093 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.58 112.72 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.779 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG3' ' HG3' ' A' ' 84' ' ' GLN . 10.6 pt-20 -76.26 -171.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.124 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.57 42.13 1.71 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.688 -175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.67 ' HG3' ' HG3' ' A' ' 82' ' ' GLU . 98.5 mt-30 -77.73 -32.05 52.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 m -148.65 106.64 3.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.462 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 3.2 mmp_? -117.18 135.79 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.225 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mp -101.62 136.3 41.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.215 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.1 m-20 -83.77 146.18 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 2.6 mp0 -45.87 -36.36 5.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.883 0.373 . . . . 0.0 111.637 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -75.13 -23.86 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 88' ' ' ASN . 11.6 tt -73.32 -23.2 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.351 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.542 ' HG3' HD22 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 87' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.728 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.524 ' O ' HD23 ' A' ' 126' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -80.06 2.58 23.36 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 123' ' ' ASP . 4.0 mm? -86.7 170.13 12.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -86.1 -48.91 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -88.65 87.72 7.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 166.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -111.22 179.89 3.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.616 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -92.08 151.37 20.47 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.8 m -53.17 107.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.97 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' HG2' HD13 ' A' ' 124' ' ' LEU . 36.2 mt-10 -64.04 -31.4 72.58 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.259 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.19 -177.82 6.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.313 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.59 137.43 40.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.66 103.36 0.25 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.253 0.549 . . . . 0.0 109.758 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -91.25 141.4 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.641 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -132.43 -37.51 1.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.229 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.049 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.6 mtt -88.02 -35.96 17.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.76 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -55.15 131.05 44.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.727 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.551 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.676 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 124' ' ' LEU . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.645 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.726 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.4 t-20 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 11.6 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.473 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 99.6 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.615 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -64.56 145.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.48 78.57 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.3 m -119.96 137.52 53.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.266 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 37.2 mt-10 -64.3 157.84 24.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.579 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.22 -37.08 71.07 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.376 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.17 -13.94 62.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.289 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.3 m -101.96 -2.56 29.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.251 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.0 mtt180 -92.68 129.68 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.721 HD11 ' HG ' ' A' ' 103' ' ' LEU . 6.3 mp -71.07 86.35 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.333 0.587 . . . . 0.0 110.918 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -93.86 -1.41 54.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.765 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -80.56 160.7 25.08 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.685 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.75 16.24 0.54 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.026 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 92' ' ' LEU . 9.9 tt -62.35 -23.78 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.49 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.418 HE22 ' HB2' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.418 ' HB2' HE22 ' A' ' 106' ' ' GLN . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 115' ' ' SER . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.645 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.519 ' O ' HD23 ' A' ' 126' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.957 ' HB3' ' HA ' ' A' ' 130' ' ' ARG . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 5.17 0.55 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 123' ' ' ASP . 4.5 mm? -73.38 -48.62 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.456 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -146.33 -158.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -63.96 -4.65 3.54 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.126 0.489 . . . . 0.0 110.168 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -45.7 -27.05 0.73 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.421 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.957 ' HA ' ' HB3' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.04 123.57 12.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.578 0.704 . . . . 0.0 111.849 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.6 m -77.07 86.73 3.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.783 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.32 109.99 1.29 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.592 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.35 101.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.885 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 137' ' ' ASP . 45.1 mt-10 -89.76 2.75 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.573 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.68 -59.3 4.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 171.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -90.41 64.0 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 24.9 t70 -79.27 -41.28 28.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.367 -173.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.0 mp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.917 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.464 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 18.2 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.52 129.01 38.57 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.729 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 -108.71 24.57 12.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.711 -172.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.889 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.889 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 1' ' ' SER . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.519 HD21 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.731 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.473 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 81' ' ' VAL . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.19 151.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -76.43 63.07 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.355 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 71' ' ' LEU . 11.5 m -96.69 107.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.28 0.562 . . . . 0.0 110.66 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.54 115.73 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.447 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.52 79.96 0.32 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.911 -0.586 . . . . 0.0 113.11 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -68.47 -40.38 81.01 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -147.44 81.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.104 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -80.98 -179.76 7.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.205 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.1 mp -109.99 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.521 175.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.54 ' O ' HG22 ' A' ' 91' ' ' ILE . 46.3 m-80 -132.21 171.94 13.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.73 -37.05 75.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.968 0.413 . . . . 0.0 110.881 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 2.8 mptp? -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.883 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.2 tt -71.48 -15.15 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 99' ' ' MET . 32.8 m80 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 98' ' ' LEU . 3.7 pm0 -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.519 ' HG3' HD21 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.704 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 126' ' ' LEU . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.404 ' H ' ' HB3' ' A' ' 124' ' ' LEU . 0.4 OUTLIER 54.31 10.79 0.34 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -100.84 144.79 29.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 160.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.69 -21.4 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -80.41 -14.54 58.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.9 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 20.6 mmtp -107.24 -41.43 5.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.657 ' HA ' HD12 ' A' ' 124' ' ' LEU . 43.8 ttp180 -64.56 134.92 55.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.839 -174.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.9 m -64.69 83.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.87 162.38 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.717 -170.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.58 109.3 0.87 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.809 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.75 -2.72 21.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.146 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.93 96.97 4.47 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.31 164.55 24.75 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.32 -44.64 67.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.417 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.635 177.147 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.81 0.338 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.0 mtt -84.09 165.41 18.53 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.479 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 62.56 13.33 6.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.405 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 15' ' ' LEU . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' HG12 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.784 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.471 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.83 144.39 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.57 82.63 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.895 0.379 . . . . 0.0 110.627 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.28 145.35 33.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.637 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -81.67 163.61 22.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.612 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.35 54.31 4.87 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.348 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -84.26 140.06 31.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 171.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 p 45.94 68.97 0.51 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.467 0.651 . . . . 0.0 109.444 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -49.83 128.59 18.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.485 -170.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 92' ' ' LEU . 74.0 mt -75.11 92.08 2.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.903 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -173.54 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.442 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -70.07 74.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.576 -173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 46.12 21.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.44 0.696 . . . . 0.0 112.695 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 HD22 ' A' ' 92' ' ' LEU . 12.8 tt -87.31 -24.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.013 -173.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 91' ' ' ILE . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.784 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.576 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 107' ' ' ILE . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.6 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 -85.64 64.42 8.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.0 -71.38 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.328 -1.306 . . . . 0.0 108.657 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -124.68 -153.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 50.62 0.86 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.344 0.592 . . . . 0.0 110.012 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -70.74 -30.35 66.85 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 27' ' ' ARG . 18.2 ttt180 -64.21 143.1 58.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 170.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.4 m -55.32 102.07 0.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.227 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.589 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.41 68.16 5.76 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 167.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.4 -174.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.498 -171.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.28 3.06 0.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.685 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -138.9 146.66 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -91.73 -78.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 110.314 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.93 177.638 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.499 0.19 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 tpt -178.04 149.47 0.56 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.774 0.43 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -67.82 85.03 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.683 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.43 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 18' ' ' LEU . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.521 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.422 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.785 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.785 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.801 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.801 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 96.4 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' HE21 ' A' ' 60' ' ' GLN . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.677 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 107' ' ' ILE . 7.5 p -100.85 148.82 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -91.66 86.56 6.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.028 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 m -88.77 114.66 27.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.494 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -65.87 83.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.335 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -121.09 145.21 17.12 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.467 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -61.79 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 0.0 110.624 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.49 ' HB3' ' OD1' ' A' ' 88' ' ' ASN . 13.4 m -104.93 -25.9 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.619 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' HD12 ' A' ' 87' ' ' LEU . 31.0 ttm180 61.21 -96.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.607 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD11 ' HG ' ' A' ' 103' ' ' LEU . 5.8 mp -141.08 117.95 11.1 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 171.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 85' ' ' SER . 20.1 m120 -92.51 98.64 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.761 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 15.12 -76.56 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.781 1.632 . . . . 0.0 114.499 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -64.09 -7.41 8.71 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.53 HG23 HD22 ' A' ' 92' ' ' LEU . 14.7 tt -67.17 -16.87 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.497 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.554 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.534 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.685 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.44 ' HB2' ' NZ ' ' A' ' 129' ' ' LYS . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -75.87 -12.54 60.18 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -101.36 142.16 33.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.132 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.34 -28.04 61.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -68.13 -26.01 65.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.894 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' NZ ' ' HB2' ' A' ' 123' ' ' ASP . 23.9 mmtp -84.28 -14.56 49.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -86.7 140.05 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.2 m -91.29 -38.7 12.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.544 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -77.48 120.66 22.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.649 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -91.31 -71.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.08 140.95 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.4 117.81 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.045 0.45 . . . . 0.0 111.12 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -116.56 -20.9 9.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 89.66 8.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.101 0.477 . . . . 0.0 110.454 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.249 1.042 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.452 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.592 0.234 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -125.71 97.14 5.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 110.471 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -93.52 -2.28 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.235 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.684 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.684 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.626 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 92' ' ' LEU . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.461 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p -80.85 144.17 11.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -79.47 82.83 5.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.376 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.03 142.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.32 146.21 44.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.563 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.18 25.39 1.59 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.476 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -64.06 -39.61 94.45 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.302 0.572 . . . . 0.0 109.77 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 38.6 m -152.82 119.74 5.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.825 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -114.84 143.33 45.28 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 87' ' ' LEU . 4.7 mp -100.17 155.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 111.178 -175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 91' ' ' ILE . 25.6 t-20 -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.788 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -42.02 -42.99 3.03 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.155 0.582 . . . . 0.0 112.465 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -61.88 -33.59 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.3 tt -75.45 -20.12 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.893 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 63' ' ' ALA . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.508 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.6 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.438 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.11 52.41 2.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.77 -163.26 1.01 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.004 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 34.9 mtmm -108.35 13.16 25.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.461 . . . . 0.0 109.793 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.21 -84.81 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 65.5 mttp -78.18 120.16 22.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 166.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 24.6 tpt180 66.32 149.67 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -173.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 67.9 m -107.27 124.25 49.5 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.18 -0.325 . . . . 0.0 110.125 176.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -50.69 109.57 0.33 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.56 83.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.777 0.799 . . . . 0.0 111.311 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.485 ' HG3' ' HG2' ' A' ' 135' ' ' GLU . 14.1 pt-20 -75.97 -35.02 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.772 175.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.485 ' HG2' ' HG3' ' A' ' 134' ' ' GLU . 72.9 mm-40 -107.48 155.3 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.5 -5.08 54.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.995 0.426 . . . . 0.0 110.503 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.11 118.8 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.838 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.605 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.1 mtt -86.98 77.04 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.065 0.459 . . . . 0.0 110.607 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -101.14 7.58 43.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 13' ' ' ALA . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 45' ' ' LEU . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.664 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.791 ' HG3' HH11 ' A' ' 130' ' ' ARG . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 25' ' ' VAL . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.524 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 29.9 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.95 138.83 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -77.71 76.98 4.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.593 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 107' ' ' ILE . 13.2 m -73.92 82.01 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.112 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -74.13 100.5 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.545 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.45 -145.96 10.26 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.73 24.68 10.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.282 0.563 . . . . 0.0 110.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -87.59 97.36 10.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.345 -176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -134.68 120.98 20.17 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.199 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.3 mp -89.55 -33.09 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.432 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 57.29 -86.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.185 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' A' ' 90' ' ' LYS . 56.3 mt-10 -148.16 -59.3 0.25 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.316 -174.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HD2' ' H ' ' A' ' 90' ' ' LYS . 2.5 mptp? -59.9 -27.47 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -163.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.7 tt -81.21 -18.96 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 87' ' ' LEU . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' ' 99' ' ' MET . 35.2 m80 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LYS . 5.3 pm0 -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.48 HD13 HG12 ' A' ' 81' ' ' VAL . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.726 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.55 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -55.11 -25.51 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -97.57 154.9 17.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.218 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 68.6 mttm -81.33 5.89 15.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.449 0.643 . . . . 0.0 109.74 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.76 -33.45 73.92 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.951 172.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 124' ' ' LEU . 73.9 mmtt -97.62 -49.01 5.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.434 175.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.791 HH11 ' HG3' ' A' ' 30' ' ' GLU . 2.2 tpm_? -61.5 96.53 0.06 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.981 174.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.4 m -69.81 97.15 1.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.193 -169.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' HG3' ' HD3' ' A' ' 127' ' ' LYS . 4.0 mm-40 -85.79 -69.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.46 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -116.04 66.19 0.7 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.63 -172.16 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.79 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.88 -169.45 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.53 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.73 -35.52 24.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.298 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -68.51 117.61 10.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.927 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.651 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.966 0.412 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 58.5 mtt -75.31 88.59 2.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.321 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -71.15 -49.9 39.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.813 HD12 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 5' ' ' LEU . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.813 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.629 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.674 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CB ' HD11 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 30' ' ' GLU . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB2' HD22 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.1 t-20 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.673 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.673 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 55' ' ' ASP . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 55.5 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.508 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 39' ' ' GLU . 7.4 p -53.39 150.93 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.45 48.44 1.58 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.928 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.528 HG12 ' HG ' ' A' ' 110' ' ' LEU . 29.1 m -81.78 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.685 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.32 -29.46 66.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.28 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 106.69 23.12 7.32 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 -174.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.21 110.17 1.78 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.1 t -132.42 86.62 2.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.935 0.397 . . . . 0.0 111.119 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 86' ' ' ARG . 16.4 mmm180 -91.26 -5.09 55.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.557 0.694 . . . . 0.0 109.828 170.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HG21 ' A' ' 91' ' ' ILE . 89.6 mt -71.74 176.8 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.242 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 92' ' ' LEU . 9.4 t30 72.63 -59.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.7 0.8 . . . . 0.0 111.175 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.53 91.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 123.532 0.733 . . . . 0.0 111.834 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 42.74 33.5 0.48 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.094 0.958 . . . . 0.0 113.355 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.652 HG21 ' HA ' ' A' ' 87' ' ' LEU . 14.5 tt -120.67 -30.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.787 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 88' ' ' ASN . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 103' ' ' LEU . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 99' ' ' MET . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.72 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.9 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.528 ' HG ' HG12 ' A' ' 81' ' ' VAL . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.0 -11.82 61.16 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.6 mm? -102.9 137.56 40.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.513 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 93.7 mttt -75.2 -18.39 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -60.61 -24.08 65.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.977 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 23.6 tptm -105.06 -34.93 7.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.514 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 21.6 ttp-105 -128.03 96.04 4.36 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.126 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.573 HG22 ' H ' ' A' ' 133' ' ' GLU . 20.0 m -92.71 140.29 29.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.161 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.41 -32.72 74.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 109.507 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.573 ' H ' HG22 ' A' ' 131' ' ' THR . 29.6 mt-10 -70.85 91.65 0.86 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.459 175.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -52.3 118.06 3.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.735 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 136' ' ' GLU . 40.7 tt0 -72.51 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.525 -177.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 135' ' ' GLU . 8.0 mm-40 67.09 135.51 0.03 OUTLIER 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.986 0.804 . . . . 0.0 111.35 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.12 110.53 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.184 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.413 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.484 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -68.16 -60.44 2.47 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.49 135.27 53.99 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.769 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.767 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.719 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 115' ' ' SER . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.684 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' HE2' ' HG2' ' A' ' 129' ' ' LYS . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.649 ' HB2' HD22 ' A' ' 32' ' ' LEU . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HG12 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.664 HD21 ' HG3' ' A' ' 111' ' ' MET . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' LEU . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 59' ' ' MET . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.629 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.64 ' HG2' HG12 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG12 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p -160.16 154.89 4.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.39 81.97 0.15 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 ' HD2' ' A' ' 86' ' ' ARG . 28.7 m -140.7 -172.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 110.967 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -23.89 14.43 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.567 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.25 142.71 19.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -93.16 -87.52 0.23 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -82.63 77.94 9.32 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HB2' HD12 ' A' ' 87' ' ' LEU . 68.6 mtp180 -75.73 -30.76 59.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.607 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.546 HD11 ' HG ' ' A' ' 103' ' ' LEU . 3.9 mp -142.25 124.68 15.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.354 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.639 ' O ' HG22 ' A' ' 91' ' ' ILE . 2.8 m-20 -86.21 144.96 27.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 92' ' ' LEU . 39.9 mt-10 -54.35 -26.24 28.79 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -33.68 76.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.7 tt -74.66 -18.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 89' ' ' GLU . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.569 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 20.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.429 ' CD1' HG21 ' A' ' 8' ' ' THR . 2.1 m-85 -77.58 -4.52 46.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.4 mm? -123.5 171.95 9.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.409 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -81.85 -1.1 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.094 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -63.5 -41.47 98.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.151 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 23.9 tptp -103.04 -26.81 12.92 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.563 0.696 . . . . 0.0 109.278 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 130' ' ' ARG . 16.2 ttt180 -88.73 67.74 8.42 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.997 173.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.1 p -75.58 98.89 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.77 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.63 -42.15 13.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.529 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -90.08 75.65 7.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.095 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.94 160.59 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.116 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.2 -35.53 79.16 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.068 0.461 . . . . 0.0 110.792 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.58 57.88 3.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.383 0.611 . . . . 0.0 109.459 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.31 -48.67 78.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.874 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.415 175.263 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.457 ' HB3' ' SD ' ' A' ' 2' ' ' MET . 20.4 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 1' ' ' SER . 0.9 OUTLIER -116.85 106.7 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.323 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 85.85 2.96 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 -170.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.603 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.653 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.653 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.613 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.77 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 98.8 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 100' ' ' PHE . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.523 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' HB2' HD22 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' HH22 ' A' ' 86' ' ' ARG . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.18 144.55 32.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -74.72 87.72 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.011 0.434 . . . . 0.0 110.859 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 71' ' ' LEU . 17.2 m -116.63 114.93 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.961 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -125.37 -61.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.519 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.03 -92.18 0.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.592 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -95.97 -31.3 13.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.832 0.349 . . . . 0.0 110.112 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.5 t 175.84 149.01 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.491 HH22 ' HA ' ' A' ' 73' ' ' SER . 44.1 mtp85 -60.57 135.19 57.68 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 6.8 mp -68.78 -3.5 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.755 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -68.36 -5.64 19.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.98 46.96 0.95 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.066 0.46 . . . . 0.0 110.804 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 52.48 13.85 0.34 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.205 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt -73.26 -20.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.77 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 107' ' ' ILE . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.75 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.58 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 129' ' ' LYS . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.483 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -73.49 -12.59 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -114.41 -177.38 3.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.057 -174.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.76 14.86 7.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.633 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.21 -41.21 98.16 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.466 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 25.6 tptp -156.91 159.06 37.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 0.1 OUTLIER 75.83 -0.97 3.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.569 0.7 . . . . 0.0 110.041 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -170.48 1.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.859 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.23 63.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.398 0.618 . . . . 0.0 109.489 173.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -82.26 -27.4 32.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.656 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.31 85.37 1.44 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.014 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.694 ' HG2' ' H ' ' A' ' 136' ' ' GLU . 23.1 tt0 -83.12 -177.34 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.707 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.694 ' H ' ' HG2' ' A' ' 135' ' ' GLU . 22.8 mt-10 -56.99 -61.74 2.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.131 0.491 . . . . 0.0 109.956 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.96 106.12 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.534 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.441 ' H2 ' ' CD ' ' A' ' 132' ' ' GLU . 29.6 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.467 0.175 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -138.02 73.99 1.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -91.23 -11.47 38.16 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 164.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' CG1' HD11 ' A' ' 45' ' ' LEU . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 25' ' ' VAL . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.694 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 ' HB1' ' A' ' 46' ' ' ALA . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' SER . 2.5 pt20 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 81' ' ' VAL . 2.5 p -92.33 147.02 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -67.15 88.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 79' ' ' VAL . 15.1 m -102.99 120.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.465 0.65 . . . . 0.0 111.633 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 106' ' ' GLN . 9.6 pt-20 -110.4 -165.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.421 172.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 150.71 163.9 11.6 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.362 -0.923 . . . . 0.0 113.209 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -80.44 -30.68 37.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.281 0.562 . . . . 0.0 109.647 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 m -121.72 90.91 3.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.101 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -80.21 172.04 14.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.59 ' HA ' HG21 ' A' ' 91' ' ' ILE . 2.6 mm? -72.84 80.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.877 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' LYS . 4.7 m-20 -102.13 111.37 23.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.195 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 29.49 -82.07 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.848 1.259 . . . . 0.0 113.966 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' ASN . 91.9 mttt -54.3 -35.17 62.34 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.351 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' A' ' 87' ' ' LEU . 13.7 tt -66.63 -22.52 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 -176.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 87' ' ' LEU . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.488 ' H ' ' HG2' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.488 ' HG2' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.424 ' HA ' HG22 ' A' ' 107' ' ' ILE . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.545 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.6 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.6 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.74 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.532 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.52 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 75.0 m-85 -67.94 -29.57 68.67 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.1 mm? -96.65 137.46 35.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.627 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -84.82 -6.14 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 109.737 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 49.3 tptt -84.72 -46.89 10.99 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.507 ' NH2' ' HG2' ' A' ' 134' ' ' GLU . 62.7 ttt-85 -159.39 111.69 2.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.845 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 133' ' ' GLU . 28.1 m -68.04 149.6 49.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 37.7 tt0 -55.9 -41.3 74.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 131' ' ' THR . 16.0 mt-10 -72.26 98.17 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 166.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.507 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 29.8 mt-10 -46.35 141.62 3.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -165.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -49.29 128.16 16.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.688 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.48 17.94 0.35 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.811 0.339 . . . . 0.0 111.325 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.19 -16.8 64.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.723 179.301 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.8 tpp -61.42 106.3 0.62 Allowed 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.584 HE21 ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 -68.09 87.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.515 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.469 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.643 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB3' HE21 ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' A' ' 3' ' ' GLN . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 41' ' ' VAL . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' HE2' ' HA ' ' A' ' 133' ' ' GLU . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.624 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.571 ' HA ' HG12 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' HA ' ' NZ ' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' SER . 5.7 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.12 143.3 13.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -76.42 73.22 3.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 HD13 ' A' ' 107' ' ' ILE . 24.5 m -88.92 -39.92 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.805 0.812 . . . . 0.0 109.819 172.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -160.6 -43.54 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.139 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 127.65 -19.03 5.94 Favored Glycine 0 C--N 1.331 0.253 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -173.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.86 144.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.747 -0.726 . . . . 0.0 109.07 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.3 m -81.98 135.13 35.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.64 -10.8 55.44 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.187 0.517 . . . . 0.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.5 mm? -76.11 76.56 2.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.134 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -109.97 -165.92 1.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.456 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 64.62 16.78 10.54 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.242 0.339 . . . . 0.0 110.926 175.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 47.3 mtmt 57.69 31.57 20.6 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.83 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -61.63 -21.61 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.696 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.719 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 -70.73 -16.43 62.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -101.36 -171.22 1.95 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.16 -176.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 54.7 pttt -84.61 -12.28 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.975 0.417 . . . . 0.0 110.262 173.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -65.97 124.71 23.27 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 66.8 mttm 67.44 5.41 4.29 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.482 0.488 . . . . 0.0 111.426 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 130' ' ' ARG . 66.1 ttt180 -106.62 -2.6 21.61 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.3 p -50.98 -59.34 4.25 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 133' ' ' GLU . 7.3 pt-20 -170.73 -86.27 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.229 170.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 132' ' ' GLU . 40.2 mt-10 -133.52 154.2 51.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.61 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 11.5 mm-40 -82.24 69.08 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.181 0.515 . . . . 0.0 110.098 -174.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 62.65 105.08 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.541 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.81 87.43 1.29 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.83 134.01 52.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.019 -171.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.451 176.424 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.458 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 85.7 mtp -68.93 115.66 8.5 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 -70.69 -15.04 62.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.61 -175.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 2' ' ' MET . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.693 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.724 ' HB2' HD11 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' HD22 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.458 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.491 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 87' ' ' LEU . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 72' ' ' SER . 11.4 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.92 141.99 17.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -77.95 67.16 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.176 0.512 . . . . 0.0 110.36 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 m -93.1 110.84 23.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.972 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 86' ' ' ARG . 33.7 mt-10 -142.56 165.85 26.27 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.052 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 106' ' ' GLN . . . 150.96 -100.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -71.87 -58.06 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.7 m -156.28 161.91 40.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.593 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 82' ' ' GLU . 56.8 mtp85 -106.56 -158.14 0.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 71' ' ' LEU . 3.1 mm? -75.2 72.36 2.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.942 0.877 . . . . 0.0 109.852 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -125.45 -163.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.114 -1.403 . . . . 0.0 107.612 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.4 21.66 10.04 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.092 0.405 . . . . 0.0 110.53 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 47.88 40.02 11.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 92' ' ' LEU . 10.9 tt -55.47 -25.01 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.773 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 91' ' ' ILE . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.617 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.523 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.51 ' HA ' HD23 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.737 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 27.4 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 116' ' ' TYR . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.549 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.505 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.693 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 -53.39 -26.11 18.28 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -87.24 126.37 34.78 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 131' ' ' THR . 62.4 mttm -75.9 -10.18 59.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.91 -13.87 61.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.093 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 122' ' ' SER . 68.3 mttm -93.55 -47.73 6.7 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.733 HH12 ' HB2' ' A' ' 134' ' ' GLU . 1.4 tpm_? -144.01 105.6 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.513 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 127' ' ' LYS . 16.8 p -50.74 -65.28 0.58 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.633 -178.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -145.57 175.0 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.158 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.12 79.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.881 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.733 ' HB2' HH12 ' A' ' 130' ' ' ARG . 85.5 mt-10 -100.11 75.95 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.115 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.04 -30.18 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.54 0.686 . . . . 0.0 109.513 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -32.43 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.181 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 134' ' ' GLU . 34.8 t70 -77.62 107.3 9.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.522 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.638 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.426 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 26.7 ttt -156.32 107.63 2.46 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.643 0.259 . . . . 0.0 111.673 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 2' ' ' MET . 29.9 pt20 175.34 -24.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.044 173.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.703 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.703 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.657 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.657 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.592 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' LYS . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 81' ' ' VAL . 6.1 p -70.04 146.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.44 75.94 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.772 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 79' ' ' VAL . 6.9 m -89.14 81.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.472 0.653 . . . . 0.0 110.617 176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -82.81 157.68 23.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.845 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.4 178.12 23.26 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.869 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.2 -29.15 34.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 109.967 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.439 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 64.7 m -97.66 118.98 35.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.815 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 103' ' ' LEU . 22.7 ttt85 -143.37 175.16 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.4 mm? -76.57 74.5 3.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.483 0.659 . . . . 0.0 110.484 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -132.19 -170.79 2.48 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.778 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 59.95 30.89 20.38 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.224 0.327 . . . . 0.0 110.498 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 93.9 mttt 46.27 49.71 12.63 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.731 0.777 . . . . 0.0 110.742 -176.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt -65.71 -23.08 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.797 -174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.429 ' HG3' ' HB3' ' A' ' 90' ' ' LYS . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.473 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.647 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.691 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.647 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.688 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 28.1 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 107' ' ' ILE . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.628 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' HB3' ' NE ' ' A' ' 130' ' ' ARG . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 -78.25 21.85 0.34 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -115.15 -165.49 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.05 -38.44 27.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.678 0.751 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 38.6 m80 -125.5 155.77 40.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.336 171.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' HB3' HD23 ' A' ' 124' ' ' LEU . 17.7 ptmt -65.14 139.68 58.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.2 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' NE ' ' HB3' ' A' ' 123' ' ' ASP . 37.9 mtm180 -52.13 135.59 31.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.995 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -62.36 113.07 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.085 0.469 . . . . 0.0 111.425 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -119.09 -165.0 1.09 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.18 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -107.89 101.35 10.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.518 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -72.57 -12.21 60.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.384 0.611 . . . . 0.0 109.512 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -84.81 155.5 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.263 171.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.17 130.31 46.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 0.0 110.65 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.34 117.7 4.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.746 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.247 -178.189 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.876 0.369 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -138.1 142.16 40.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -126.77 141.17 51.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.517 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.708 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' A' ' 58' ' ' GLN . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.756 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.756 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 81' ' ' VAL . 1.8 p -102.88 146.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -67.91 93.3 0.4 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.482 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 79' ' ' VAL . 35.2 m -113.97 -179.67 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -100.74 108.73 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.154 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.68 72.91 1.71 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.272 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -69.25 -76.16 0.1 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 110.062 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -86.21 89.21 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.558 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.03 118.81 8.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.132 0.492 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.848 ' HA ' HG21 ' A' ' 91' ' ' ILE . 4.6 mp -81.39 92.81 6.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.875 -171.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -174.17 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.66 92.61 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.967 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 48.96 30.07 2.63 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.848 HG21 ' HA ' ' A' ' 87' ' ' LEU . 8.3 tt -93.62 -56.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.111 -177.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 87' ' ' LEU . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.677 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.409 HE22 ' HB ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' CG ' HH12 ' A' ' 118' ' ' ARG . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.676 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.409 HH12 ' CG ' ' A' ' 114' ' ' ASP . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 -80.28 43.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.63 -163.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -81.83 -48.9 11.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.474 ' HD2' ' HG3' ' A' ' 129' ' ' LYS . 35.4 t60 -72.19 139.14 48.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.762 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HG3' ' HD2' ' A' ' 128' ' ' HIS . 68.5 mttm 78.43 -2.36 2.39 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.363 0.665 . . . . 0.0 112.354 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 124' ' ' LEU . 48.4 tpt85 -136.72 -66.16 0.54 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.251 -0.179 . . . . 0.0 111.298 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.8 m -65.29 -41.49 94.09 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.1 78.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.765 169.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.8 -31.0 69.3 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -93.72 76.33 4.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.01 -26.31 61.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.85 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -88.59 148.81 23.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.06 -51.94 62.5 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.595 172.828 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.596 ' N ' ' HB3' ' A' ' 132' ' ' GLU . 15.9 m . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 120.515 0.198 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.0 mtt -120.16 -65.51 1.15 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 -61.12 -29.61 69.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.077 -174.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.554 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HB2' HD11 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.493 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE3' HD23 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 82.6 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t -58.75 151.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.02 70.01 0.76 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.464 0.65 . . . . 0.0 110.709 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG23 HH11 ' A' ' 86' ' ' ARG . 14.8 m -98.19 107.23 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.57 179.97 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.916 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.37 151.08 26.15 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.51 -56.82 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.398 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m -83.5 73.5 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.091 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.539 HH11 HG23 ' A' ' 81' ' ' VAL . 61.7 mtm180 -94.54 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 87' ' ' LEU . 2.7 mm? -116.51 85.48 2.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.737 -1.574 . . . . 0.0 107.603 170.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.8 p-10 -76.69 179.4 6.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.851 -172.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.53 127.66 28.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.056 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.512 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 62.3 mttm 51.8 25.68 3.1 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.796 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 88' ' ' ASN . 12.6 tt -76.63 -23.34 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.512 ' OE2' ' HG2' ' A' ' 90' ' ' LYS . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HA ' HD23 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.566 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.732 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.566 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.732 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.629 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.538 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 22.8 m-85 -60.23 -20.86 60.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.9 mm? -94.64 146.14 24.35 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.653 -176.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.786 ' HG2' ' HB2' ' A' ' 132' ' ' GLU . 95.6 mttt -77.7 -14.78 59.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 109.914 -177.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -94.51 22.22 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 124' ' ' LEU . 32.2 mmtm -127.69 -45.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.669 171.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 53.0 ttt85 -137.82 137.86 38.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.031 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -67.5 82.02 0.16 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.242 0.544 . . . . 0.0 110.583 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.786 ' HB2' ' HG2' ' A' ' 127' ' ' LYS . 57.4 mm-40 -82.35 100.66 10.1 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.828 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 51.76 -160.9 0.09 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.522 0.514 . . . . 0.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.49 -93.95 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -119.82 -175.5 2.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 110.798 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -82.22 82.82 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.382 0.61 . . . . 0.0 111.275 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -115.73 11.3 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.59 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.175 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.432 -176.238 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.594 0.235 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.04 -29.38 68.35 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.384 -0.197 . . . . 0.0 111.42 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.39 -2.84 9.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.748 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.596 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.533 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.693 ' HA ' HG12 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' SER . 2.1 t-20 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.684 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.661 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD22 HG22 ' A' ' 81' ' ' VAL . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.409 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -109.08 135.16 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -89.46 82.17 6.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.82 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG22 HD22 ' A' ' 71' ' ' LEU . 30.6 m -87.83 40.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.924 173.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.73 97.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.385 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.35 -108.21 2.87 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.79 87.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m 59.8 -81.11 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.598 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -177.97 155.28 0.96 Allowed 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 5.2 mp -80.79 -61.02 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 110.464 -175.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 58.86 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.954 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -134.02 -48.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -48.56 -59.7 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.857 -169.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 92' ' ' LEU . 14.2 tt -67.29 -16.7 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.451 HD12 HG23 ' A' ' 91' ' ' ILE . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 73.5 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.69 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.568 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 130' ' ' ARG . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 -71.57 -16.15 62.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 129' ' ' LYS . 2.6 mm? -105.53 157.2 17.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 95.7 mttt -89.02 -30.95 18.34 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.839 0.352 . . . . 0.0 110.282 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -69.88 -25.12 63.56 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 109.594 171.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 122' ' ' SER . 45.8 tptt -80.7 -178.9 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 169.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 14.4 ptt180 50.58 16.26 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p 42.76 82.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.477 ' HG3' ' HG3' ' A' ' 130' ' ' ARG . 62.8 mt-10 -140.71 -40.51 0.41 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 68.58 153.09 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.637 0.586 . . . . 0.0 109.584 -171.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' ' HD2' ' A' ' 127' ' ' LYS . 30.0 mp0 -83.88 -62.12 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.312 -176.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.58 -33.11 1.1 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.27 -169.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.92 154.69 29.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.111 0.482 . . . . 0.0 111.683 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.75 140.98 49.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.753 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.096 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.529 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.548 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 13' ' ' ALA . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 41' ' ' VAL . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' VAL . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.58 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LYS . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.575 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 7.8 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.449 HG23 HD22 ' A' ' 92' ' ' LEU . 10.8 tt . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.449 HD22 HG23 ' A' ' 91' ' ' ILE . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.722 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.554 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 21.3 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 31' ' ' PHE . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.376 0 CA-C-O 120.877 0.37 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.844 ' HA ' HG23 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.844 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' ALA . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.647 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.803 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.803 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.492 ' HG2' ' NE2' ' A' ' 60' ' ' GLN . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.717 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 47.0 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 40' ' ' ASN . 2.4 p . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 92' ' ' LEU . 15.6 tt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.717 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.654 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.686 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.709 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 . . . . . 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.48 0.181 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 44' ' ' TRP . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.583 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.643 ' HB3' HD22 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.712 ' HA ' HG12 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.655 HD21 ' HG3' ' A' ' 111' ' ' MET . 20.1 t30 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 19' ' ' LEU . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.416 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 71' ' ' LEU . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.493 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.493 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.738 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.738 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 92' ' ' LEU . 16.2 tt . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.676 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.694 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.655 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.497 HD22 ' HB3' ' A' ' 13' ' ' ALA . 91.8 m-20 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.527 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HA ' HG11 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.603 ' HB3' ' O ' ' A' ' 37' ' ' SER . 7.2 t30 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.511 HG11 ' HA ' ' A' ' 29' ' ' ARG . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.829 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.829 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.7 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.654 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 8.0 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 107' ' ' ILE . 7.2 p . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.542 ' HG3' HD22 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 103' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.728 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.727 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.551 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.676 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 124' ' ' LEU . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.645 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.726 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.641 HD21 ' HG3' ' A' ' 111' ' ' MET . 36.2 t30 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 3.9 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.473 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.2 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.615 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 92' ' ' LEU . 9.9 tt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 100' ' ' PHE . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.49 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.641 ' HG3' HD21 ' A' ' 40' ' ' ASN . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.645 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.729 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.889 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.889 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.457 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.519 HD21 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.731 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.473 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.517 HG23 HD12 ' A' ' 92' ' ' LEU . 13.2 tt . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 99' ' ' MET . 26.7 m-70 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.716 ' NE2' ' H ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.519 ' HG3' HD21 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.704 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.595 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.404 ' H ' ' HB3' ' A' ' 124' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.479 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.823 0.344 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 15' ' ' LEU . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' HG12 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.585 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.404 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 53' ' ' MET . 26.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.784 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.471 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 HD22 ' A' ' 92' ' ' LEU . 12.8 tt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.61 0.243 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 91' ' ' ILE . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.784 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.576 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 107' ' ' ILE . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.6 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.683 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.43 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 18' ' ' LEU . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.521 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.422 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.785 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.785 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.424 HD21 ' HG3' ' A' ' 111' ' ' MET . 22.2 t30 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.801 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.801 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 22.3 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' HE21 ' A' ' 60' ' ' GLN . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.528 ' HG3' ' OE1' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 107' ' ' ILE . 7.5 p . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.53 HG23 HD22 ' A' ' 92' ' ' LEU . 14.7 tt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.497 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 40' ' ' ASN . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.534 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.685 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.684 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.684 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.626 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 92' ' ' LEU . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.461 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 63' ' ' ALA . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.508 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.6 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.438 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 13' ' ' ALA . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 45' ' ' LEU . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.664 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.471 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.59 HD21 ' HG3' ' A' ' 111' ' ' MET . 32.9 t30 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 25' ' ' VAL . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.524 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 4.5 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.402 HG13 ' CD2' ' A' ' 96' ' ' HIS . 12.7 tt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' ' 99' ' ' MET . 28.0 m-70 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.59 ' HG3' HD21 ' A' ' 40' ' ' ASN . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.726 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.55 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.813 HD12 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 5' ' ' LEU . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.813 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.451 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.629 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.674 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CB ' HD11 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 30' ' ' GLU . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB2' HD22 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 37' ' ' SER . 14.9 t30 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.673 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.673 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 55' ' ' ASP . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.507 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 49.9 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.508 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 39' ' ' GLU . 7.4 p . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.413 HG23 HD22 ' A' ' 92' ' ' LEU . 14.5 tt . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.413 HD22 HG23 ' A' ' 91' ' ' ILE . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 103' ' ' LEU . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 99' ' ' MET . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.72 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.5 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--O 1.236 0.361 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.767 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.719 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.555 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 115' ' ' SER . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.684 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' HB2' HD22 ' A' ' 124' ' ' LEU . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.649 ' HB2' HD22 ' A' ' 32' ' ' LEU . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HG12 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.664 HD21 ' HG3' ' A' ' 111' ' ' MET . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' LEU . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 59' ' ' MET . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.629 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.64 ' HG2' HG12 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG12 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p . . . . . 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.442 HG23 HD22 ' A' ' 92' ' ' LEU . 13.7 tt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.442 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.569 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.429 ' CD1' HG21 ' A' ' 8' ' ' THR . 2.1 m-85 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.603 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.653 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.653 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.613 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.77 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 26.9 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 100' ' ' PHE . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.523 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' HB2' HD22 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.77 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.668 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 101' ' ' GLN . 43.1 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 107' ' ' ILE . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.75 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.58 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.483 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' CG1' HD11 ' A' ' 45' ' ' LEU . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.74 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 25' ' ' VAL . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.694 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 ' HB1' ' A' ' 46' ' ' ALA . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.499 HG23 HD22 ' A' ' 92' ' ' LEU . 13.7 tt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD22 HG23 ' A' ' 91' ' ' ILE . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.488 ' H ' ' HG2' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.488 ' HG2' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.424 ' HA ' HG22 ' A' ' 107' ' ' ILE . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.545 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.6 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.6 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.74 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.532 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.52 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 75.0 m-85 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.584 HE21 ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.469 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.643 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB3' HE21 ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' A' ' 3' ' ' GLN . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 41' ' ' VAL . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.624 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.571 ' HA ' HG12 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' HA ' ' NZ ' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' SER . 5.7 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.936 0.398 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.696 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.719 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.693 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.724 ' HB2' HD11 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' HD22 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.491 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 72' ' ' SER . 11.4 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 92' ' ' LEU . 10.9 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 91' ' ' ILE . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.617 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.523 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.51 ' HA ' HD23 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.737 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 116' ' ' TYR . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.505 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.693 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 121.228 0.537 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.703 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.703 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.657 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.657 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.592 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' LYS . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.473 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.647 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.691 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.647 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.688 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 107' ' ' ILE . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.628 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 . . . . . 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.517 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.708 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' A' ' 58' ' ' GLN . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.756 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.756 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.429 HG23 ' H ' ' A' ' 92' ' ' LEU . 8.3 tt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.211 0.053 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.429 ' H ' HG23 ' A' ' 91' ' ' ILE . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.677 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.637 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' CG ' HH12 ' A' ' 118' ' ' ARG . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.676 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.409 HH12 ' CG ' ' A' ' 114' ' ' ASP . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.458 0.647 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.554 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HB2' HD11 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.493 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE3' HD23 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 12.9 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HD22 ' A' ' 92' ' ' LEU . 12.6 tt . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HA ' HD23 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.566 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.732 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.566 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.732 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.629 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.538 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 22.8 m-85 . . . . . 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.748 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.596 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.533 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.693 ' HA ' HG12 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.776 HD21 ' HG3' ' A' ' 111' ' ' MET . 15.4 t30 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.684 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.661 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 43' ' ' PHE . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.409 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 92' ' ' LEU . 14.2 tt . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.451 HD12 HG23 ' A' ' 91' ' ' ILE . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 23.0 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.776 ' HG3' HD21 ' A' ' 40' ' ' ASN . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.69 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.487 ' OG ' ' HE3' ' A' ' 121' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.524 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.626 0.25 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.2 mtt -95.62 8.85 42.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.529 ' HG2' ' HG3' ' A' ' 23' ' ' GLU . 1.5 mp0 -77.08 102.99 6.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.605 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 57.8 m -159.21 -66.94 0.08 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.478 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.4 mp -75.13 -75.77 0.16 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 122.25 1.024 . . . . 0.0 110.953 -172.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 62.6 mttp -62.44 -32.8 73.72 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.34 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.548 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 46.1 m -59.53 -48.36 81.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.559 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 p -64.13 -37.12 86.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.929 0.395 . . . . 0.0 110.013 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.48 89.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.524 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 68.1 mttm -56.0 -60.98 2.71 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 111.496 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 7' ' ' SER . 4.4 m0 -69.72 -32.99 71.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.362 -170.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.61 57.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.605 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -77.3 -55.43 5.42 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -152.29 140.71 20.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.464 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.36 -27.87 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.219 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.28 -43.99 93.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.96 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 13' ' ' ALA . 92.4 m-20 -55.48 -44.74 76.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.252 0.548 . . . . 0.0 109.843 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -59.34 -50.63 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.329 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.84 3.81 21.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.662 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -107.89 -49.96 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 28.7 t70 -71.78 123.47 89.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.329 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 Cg_endo -51.49 -52.23 9.48 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.789 2.326 . . . . 0.0 112.027 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mm-40 -58.68 -32.79 69.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' PHE . . . -58.61 -58.23 15.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 45' ' ' LEU . 73.8 t -59.54 -32.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.768 0.318 . . . . 0.0 111.043 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 9.8 mmpt? -67.57 -69.5 0.31 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.746 0.307 . . . . 0.0 110.468 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -64.04 -33.91 76.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.494 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 47.3 t80 -66.8 -39.32 87.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.477 177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 41' ' ' VAL . 28.4 ttp180 -61.21 -49.8 75.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.895 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mm-40 -53.02 -39.15 62.96 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.602 0.564 . . . . 0.0 110.115 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 84.3 t80 -58.97 -64.1 1.06 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.97 -32.81 68.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.359 0.6 . . . . 0.0 110.195 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 59.4 tttp -59.55 -51.88 67.97 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.491 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -20.97 56.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.989 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.89 -4.76 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.4 t80 68.62 70.62 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.07 0.938 . . . . 0.0 111.461 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.4 m -155.49 21.55 0.41 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.695 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' VAL . 40.6 tt0 -64.52 -23.94 67.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.101 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.77 -41.45 82.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.49 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -62.36 -58.86 6.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.637 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.0 p -60.96 -41.92 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.469 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 29.8 mt -69.21 -32.98 72.62 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.285 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.58 -51.21 70.85 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 70.8 t90 -61.25 -48.79 79.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.547 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 25' ' ' VAL . 34.9 mt -55.67 -46.44 77.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.95 78.96 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.018 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 22.2 p -68.87 -30.0 68.42 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.952 0.158 . . . . 0.0 111.257 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 17.6 tp10 -74.94 -43.18 55.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.046 0.45 . . . . 0.0 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 34.2 t70 -67.76 -38.05 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 109.153 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 97' ' ' PRO . 84.0 t80 -60.33 -35.2 75.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.248 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -71.39 -35.23 70.97 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.804 177.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 54.5 mtmt -81.89 -45.13 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -146.17 141.17 27.2 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.946 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 53' ' ' MET . 9.4 tp60 170.17 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.71 0.631 . . . . 0.0 109.83 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.88 162.19 28.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -54.78 -61.92 1.99 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -59.43 -49.58 77.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -52.61 -49.02 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.611 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 43.6 ttp -54.8 -46.17 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.56 -45.67 89.45 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.396 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.953 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LYS . 72.4 mmtt -80.62 -27.19 37.35 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.404 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.83 -50.63 68.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 109.71 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.18 -29.96 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.552 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -60.11 4.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.545 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.16 -35.36 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' SER . 34.1 t80 -63.62 -49.0 75.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.84 -30.36 67.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.81 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -86.78 -43.76 12.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.9 -33.85 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 91.6 mt -109.61 -87.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.638 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' TYR . 24.5 t 56.48 -166.1 0.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.941 0.4 . . . . 0.0 110.789 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.9 m -88.98 -18.77 26.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.965 0.412 . . . . 0.0 110.277 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -140.13 -60.72 0.53 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.051 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.94 12.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.4 p 55.19 11.39 0.53 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 112.627 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 p 177.22 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.94 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.575 ' HG3' ' HA ' ' A' ' 71' ' ' LEU . 7.8 tt0 65.23 147.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.885 -173.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 81' ' ' VAL . 3.1 p -78.45 139.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.617 175.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.67 79.07 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.482 0.658 . . . . 0.0 111.549 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 79' ' ' VAL . 30.3 m -144.43 -170.67 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.776 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 86' ' ' ARG . 36.6 tt0 -63.29 107.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.191 174.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.22 -43.44 0.04 OUTLIER Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.185 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -35.49 -64.99 0.26 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 112.988 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -114.14 24.18 12.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.21 0.528 . . . . 0.0 110.207 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.657 ' HG3' HD12 ' A' ' 87' ' ' LEU . 11.9 tpt180 -101.43 162.3 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.509 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.2 mp 62.63 -79.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.007 0.523 . . . . 0.0 111.398 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.474 ' O ' HG22 ' A' ' 91' ' ' ILE . 46.5 m-80 64.91 153.16 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 37.5 mt-10 -52.77 -25.79 12.33 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -55.96 -31.27 62.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.055 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 88' ' ' ASN . 10.8 tt -91.1 -23.57 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.401 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD22 HG23 ' A' ' 91' ' ' ILE . 3.6 mm? -73.26 -7.29 50.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.715 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 49.5 mt-10 -81.62 -9.03 59.77 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.135 174.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.64 59.0 3.59 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.772 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.47 151.3 10.38 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.718 2.279 . . . . 0.0 113.015 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -136.34 149.77 68.77 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.28 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.722 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 19.2 Cg_endo -57.16 -55.39 2.62 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.469 2.112 . . . . 0.0 112.613 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 87.9 mt -63.92 -15.57 59.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.918 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -27.08 66.36 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -82.45 -26.97 32.2 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 98' ' ' LEU . 1.9 mp0 -63.27 -19.45 64.58 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.691 0.281 . . . . 0.0 110.796 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.73 -48.45 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.52 -26.98 62.89 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.331 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.554 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 21.3 tt0 -67.9 -49.58 61.15 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.339 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.33 -36.46 80.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -55.44 27.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.041 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.4 tp -66.68 -25.34 34.6 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.67 -42.53 98.05 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 109.579 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -66.08 -50.49 63.93 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.162 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -33.85 74.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.998 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.9 ttm -64.39 -49.53 71.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.062 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.5 tttt -55.83 -53.93 50.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.994 0.426 . . . . 0.0 109.934 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -57.81 -64.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.41 -59.36 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.238 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 111' ' ' MET . 24.4 m -61.93 -31.04 71.33 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 11.9 m-85 -66.68 -46.65 74.94 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.709 172.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 36.9 m -65.11 -12.08 46.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 51.6 mtt180 -91.07 -56.06 3.31 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 110.589 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -64.4 -38.4 90.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.501 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.62 3.55 40.31 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.586 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 118' ' ' ARG . 29.4 ttpt -87.02 -51.17 6.17 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 14.7 m -113.89 74.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' O ' ' HD2' ' A' ' 129' ' ' LYS . 3.4 m-20 -51.0 112.88 0.79 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.95 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 130' ' ' ARG . 68.2 mt -79.21 17.02 0.85 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.9 m-30 -69.49 -13.28 62.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.5 mm? -103.73 143.25 33.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.434 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -76.22 -15.61 60.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.966 0.412 . . . . 0.0 109.923 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -77.95 -8.74 58.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.703 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 123' ' ' ASP . 67.7 mttm -114.25 -52.85 2.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.658 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 1.9 tmt_? -83.47 111.87 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.3 m -71.1 92.11 0.95 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -168.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 130' ' ' ARG . 36.4 tt0 -111.96 -57.73 2.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 165.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 63.69 -75.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.471 171.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.65 153.35 32.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 111.753 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.43 160.78 17.39 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.738 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.88 -40.98 68.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 t70 38.39 -87.41 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.311 1.007 . . . . 0.0 113.258 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.576 -179.026 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.414 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ttt -67.34 -45.11 77.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.302 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.23 142.33 54.23 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.14 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.844 ' HA ' HG23 ' A' ' 8' ' ' THR . 42.6 m 71.65 -179.85 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.304 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp 55.96 -91.48 0.03 OUTLIER 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.212 0.605 . . . . 0.0 111.408 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.25 -48.44 78.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.068 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 p -73.31 -30.6 63.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.265 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.844 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.3 p -64.96 -32.17 73.76 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.048 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.76 75.47 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.66 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 7' ' ' SER . 26.6 mmmt -52.97 -68.19 0.19 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.143 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 7' ' ' SER . 2.7 m0 -61.38 -39.19 89.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.714 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.67 0.69 42.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.453 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.14 -43.82 15.78 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 168.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -157.85 139.85 14.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.937 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -56.38 -30.21 62.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.315 0.578 . . . . 0.0 109.529 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -58.3 -45.98 86.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.025 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' ALA . 79.4 m-20 -61.18 -40.07 92.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.426 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 17.5 tp -57.66 -44.09 85.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.11 -2.49 55.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -100.68 -44.63 5.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.639 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 19.5 t70 -83.56 131.57 52.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -171.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 52.6 Cg_exo -55.79 -52.61 7.09 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.066 2.51 . . . . 0.0 112.506 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -57.36 -40.82 78.88 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -63.65 5.07 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.37 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.21 -37.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.647 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.53 -31.15 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -173.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 96.3 mtt-85 -81.91 -28.64 32.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.876 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 18' ' ' LEU . 43.5 t80 -69.12 -39.75 78.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.327 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -59.44 -54.58 45.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.498 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 pt-20 -65.42 -35.17 80.12 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.579 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.97 -62.09 1.94 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.378 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' A' ' 41' ' ' VAL . 53.0 mt -61.86 -34.13 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.47 -42.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.382 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -78.06 -33.63 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.817 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -92.01 6.24 47.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.716 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 65.83 69.3 0.45 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.912 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB3' ' OD1' ' A' ' 40' ' ' ASN . 60.7 m -155.13 24.99 0.42 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.502 173.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.0 tt0 -57.84 -26.36 61.93 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.046 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 6.8 mp0 -59.2 -49.24 78.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.242 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.9 p-10 -77.41 -37.34 52.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.013 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 32' ' ' LEU . 8.0 p -64.83 -48.71 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.457 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 42' ' ' LEU . 18.4 mt -67.03 -33.09 74.79 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.985 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -58.13 -48.57 79.83 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.997 0.186 . . . . 0.0 110.954 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -63.8 -51.46 64.66 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.33 -28.08 67.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.744 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -72.09 -42.21 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.38 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.85 -35.43 78.55 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.169 0.509 . . . . 0.0 110.464 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.78 -55.56 33.49 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.204 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 14.3 t70 -63.74 -36.3 83.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.742 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 41.5 t80 -56.13 -37.63 69.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.788 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -77.26 -33.53 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.535 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 53.5 mtmt -73.57 -60.42 2.26 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.803 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.4 ptt? -117.37 -165.4 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.909 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.803 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 50.4 mt-30 83.49 126.88 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.272 1.029 . . . . 0.0 112.421 173.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.18 158.4 35.0 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.558 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.492 ' HG2' ' NE2' ' A' ' 60' ' ' GLN . 87.0 tttt -45.7 -43.03 12.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -60.75 -55.77 29.14 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.87 -46.82 84.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.746 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.654 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 52.5 ttp -52.45 -50.13 63.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.717 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 47.0 mt-30 -61.1 -44.92 96.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.347 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.93 -34.44 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.707 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.0 tptt -71.65 -29.36 64.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.004 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.76 -57.14 7.68 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.781 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -60.18 -35.29 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.328 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.57 -70.9 0.14 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.675 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.4 pt -59.67 -31.67 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 111.11 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -61.45 -48.72 79.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.404 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.452 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 95.9 mmm -85.99 -6.47 59.04 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -97.21 -36.19 10.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 28.2 m-85 -117.11 -42.81 2.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.511 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 71' ' ' LEU . 6.3 mp -92.22 -95.92 0.13 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.443 -0.161 . . . . 0.0 110.997 -176.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 34.5 t 51.15 -161.08 0.08 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.263 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -109.91 6.32 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 175.06 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 61.75 -73.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 124.306 1.003 . . . . 0.0 111.987 176.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 p -174.04 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.34 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 p -165.15 86.93 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -76.63 144.37 39.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.2 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.513 HG13 HG13 ' A' ' 81' ' ' VAL . 2.4 p -80.65 142.93 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.457 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.39 84.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.4 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG13 HG13 ' A' ' 79' ' ' VAL . 28.0 m -100.96 179.34 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.33 96.64 1.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.3 -85.28 1.14 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.036 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -152.76 173.97 14.61 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -68.92 97.21 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.396 0.617 . . . . 0.0 110.435 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.33 -1.23 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.8 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 87' ' ' LEU . 5.5 mp -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.28 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.58 -89.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.504 -1.225 . . . . 0.0 112.506 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -143.26 -61.36 0.42 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -75.43 70.92 2.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.682 0.753 . . . . 0.0 111.443 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 92' ' ' LEU . 15.6 tt -161.31 -30.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.722 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 91' ' ' ILE . 3.2 mm? -65.68 -13.86 60.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.54 -59.83 3.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.877 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.42 90.44 7.22 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.717 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 2.8 Cg_exo -76.09 131.7 13.31 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.953 2.435 . . . . 0.0 111.852 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 37.0 m-70 -103.63 158.2 32.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.407 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.654 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 27.6 Cg_endo -60.84 -25.24 80.88 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.344 2.029 . . . . 0.0 112.011 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 67.6 mt -87.98 -17.86 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.447 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -33.48 76.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 110.454 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -76.71 -5.97 50.25 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.686 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.01 -29.99 71.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -64.73 -47.12 79.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.807 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -74.1 -29.65 61.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.375 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -63.27 -41.4 99.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.37 -46.36 76.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.383 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -58.76 6.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.024 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.0 tp -66.63 -19.83 26.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -177.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -67.47 -49.49 63.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.84 -47.24 87.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.468 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.951 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 31.1 ttm -61.33 -44.19 97.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.909 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.5 tttt -54.53 -66.62 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.88 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -48.79 -71.54 0.07 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.84 -74.09 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.598 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 23.8 m -66.45 -35.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -167.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.709 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.1 t80 -75.86 -38.11 58.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.118 0.417 . . . . 0.0 110.021 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -64.03 -43.9 94.16 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -63.64 -38.15 90.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.99 -53.88 49.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.29 -30.11 71.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.431 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -62.86 -37.63 87.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.65 178.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.0 p -159.33 75.4 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.873 0.368 . . . . 0.0 111.837 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 9.7 t70 -72.8 179.8 3.49 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 168.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.8 mm? -71.07 32.49 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.121 -0.362 . . . . 0.0 111.907 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 28.1 m-85 -59.06 -31.21 68.66 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 170.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.4 mm? -83.66 126.59 33.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.025 -177.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -69.46 -27.88 65.62 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.526 ' O ' ' HA ' ' A' ' 132' ' ' GLU . 11.3 t-80 -78.63 -8.16 58.37 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.42 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 129' ' ' LYS . 70.9 mmtt -100.29 -30.47 11.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.436 ' NH2' ' OG ' ' A' ' 4' ' ' SER . 18.7 ttm180 -73.14 -58.48 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.5 m -103.92 100.23 10.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 169.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 128' ' ' HIS . 46.0 mt-10 -67.76 -17.78 64.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.43 -172.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -86.73 138.53 31.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.21 24.01 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -104.12 104.34 14.26 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.99 86.64 0.25 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 111.256 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.14 104.39 12.44 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.494 -174.027 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ttt -155.81 151.34 27.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.921 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -76.2 11.4 1.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.458 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.5 t -158.74 -166.06 1.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 4.3 tt 69.16 -89.65 0.03 OUTLIER 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.515 0.726 . . . . 0.0 110.556 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 87.5 tttt -78.65 -44.1 24.58 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.062 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.4 m -59.76 -40.9 89.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.214 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 5.5 p -69.53 -29.85 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.646 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.7 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -57.54 -63.68 1.15 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.915 0.864 . . . . 0.0 110.508 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 4.0 m0 -65.88 -35.49 80.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.322 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.04 -3.11 56.91 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.65 0.262 . . . . 0.0 110.756 177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -45.38 31.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 p -166.77 145.23 5.24 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.695 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 111' ' ' MET . 57.1 tp -54.28 -25.51 23.97 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.978 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 31.4 mt-10 -53.19 -60.72 2.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.273 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -53.72 -46.08 70.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.101 0.477 . . . . 0.0 110.242 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 28' ' ' PHE . 7.7 tt -52.08 -48.96 64.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.957 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 44' ' ' TRP . 96.0 mt -79.19 -10.1 59.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.966 -176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 46.0 mt-10 -95.88 -58.85 1.99 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.485 0.183 . . . . 0.0 111.049 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 53.6 m-20 -64.0 119.62 56.82 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.642 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.583 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.2 Cg_exo -53.86 -40.11 81.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.53 2.153 . . . . 0.0 111.424 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -57.33 -37.87 73.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.847 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.73 24.06 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.298 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.09 -37.24 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 123.686 0.286 . . . . 0.0 111.621 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 19.2 mmtp -80.15 -40.06 28.11 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -63.54 -40.44 97.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.353 0.597 . . . . 0.0 109.628 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 41.6 t80 -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.468 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 12.5 tpt180 -59.08 -52.92 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.705 176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 pt-20 -73.09 -39.25 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.557 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HE2' ' HA ' ' A' ' 123' ' ' ASP . 54.1 t80 -55.12 -58.19 8.65 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.425 0.631 . . . . 0.0 110.012 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 37' ' ' SER . 29.1 mt -66.86 -30.77 71.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.083 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 21.7 ttmm -58.89 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 110.752 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 85.4 mttt -73.25 -29.6 62.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.112 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.24 14.52 24.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -173.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.6 t80 61.87 72.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.993 0.902 . . . . 0.0 112.107 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.643 ' HB3' HD22 ' A' ' 32' ' ' LEU . 32.4 t -160.55 18.17 0.13 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.807 169.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.712 ' HA ' HG12 ' A' ' 41' ' ' VAL . 14.4 pt-20 -69.69 -17.99 63.52 Favored 'General case' 0 C--O 1.228 -0.036 0 O-C-N 121.925 -0.485 . . . . 0.0 109.883 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -58.55 -42.1 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.059 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.655 HD21 ' HG3' ' A' ' 111' ' ' MET . 20.1 t30 -62.9 -59.65 4.55 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.584 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -59.35 -46.07 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.329 -177.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.52 -36.82 83.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.377 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.83 -48.24 79.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.909 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 19' ' ' LEU . 44.3 t90 -64.59 -49.57 70.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 0.0 110.274 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.4 mm? -62.42 -33.92 75.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.709 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -66.16 -39.22 89.6 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.43 -32.31 72.25 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.138 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -58.18 9.58 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 1.5 m-20 -63.81 -30.68 71.75 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.895 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 45.9 t80 -58.79 -43.71 90.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.436 0.636 . . . . 0.0 109.836 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -77.48 -33.75 54.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.62 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 33.1 ttpt -72.49 -38.91 68.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.144 -173.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.4 ptt? -133.38 -160.73 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 76.0 mt-30 75.83 124.31 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.265 0.626 . . . . 0.0 111.517 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.65 170.51 15.04 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 53.7 tptt -41.43 -58.21 1.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 m -59.0 -52.16 66.96 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 111.849 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -61.59 -46.3 90.45 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.147 0.499 . . . . 0.0 110.34 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.416 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 47.3 ttp -54.19 -35.87 62.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.133 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.0 mt-30 -61.25 -56.65 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.328 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 23.0 mm-40 -66.21 -30.78 71.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.716 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.1 mmtt -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.699 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.09 91.07 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.886 0.851 . . . . 0.0 109.051 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 74.7 mttt -66.97 -36.6 82.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.114 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.62 -62.96 1.26 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.448 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -60.49 -33.2 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.733 0.302 . . . . 0.0 110.629 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 46.3 t80 -64.04 -47.24 80.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 110.166 174.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.493 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.2 ttt -69.33 -24.33 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.8 m -90.87 -49.68 6.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 71' ' ' LEU . 59.6 m-85 -101.68 -30.61 11.24 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.7 mp -107.0 -91.69 0.41 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.224 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.493 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 14.7 m 47.12 -161.2 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -170.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 m -115.3 16.37 16.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 173.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.738 ' HG3' ' H ' ' A' ' 75' ' ' ALA . 23.3 pttm -175.06 -66.0 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.285 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.738 ' H ' ' HG3' ' A' ' 74' ' ' LYS . . . 47.1 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.701 0.801 . . . . 0.0 112.096 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.1 m -163.57 -32.23 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.74 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 p -173.03 91.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.243 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.84 140.46 56.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.318 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 81' ' ' VAL . 7.3 p -79.57 148.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.885 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.82 88.6 3.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 -177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 79' ' ' VAL . 31.1 m -101.52 149.76 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.68 -22.85 37.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.669 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.43 10.29 85.5 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.668 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.158 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -136.53 110.71 8.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.384 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 86' ' ' ARG . 27.1 mtm180 -105.52 158.39 16.7 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.528 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HG21 ' A' ' 91' ' ' ILE . 4.6 mp -101.5 125.11 48.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.516 -172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -174.5 -56.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.886 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.46 92.25 0.43 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.863 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 50.02 17.3 0.29 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 92' ' ' LEU . 16.2 tt -94.94 -27.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.634 0.254 . . . . 0.0 110.697 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 91' ' ' ILE . 2.2 mm? -88.89 -20.23 24.84 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 90' ' ' LYS . 46.3 mt-10 -77.53 -38.01 49.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.669 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -133.35 74.38 72.1 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.951 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 12.7 Cg_exo -72.07 134.74 23.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 112.478 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.676 ' O ' ' HG3' ' A' ' 99' ' ' MET . 54.1 m-70 -113.59 163.89 17.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 34.4 Cg_endo -63.88 -30.82 67.95 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 121.975 1.783 . . . . 0.0 113.353 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.85 -5.37 26.26 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' HIS . 3.1 ppp? -64.36 -36.73 85.07 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.888 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.66 ' N ' ' SD ' ' A' ' 99' ' ' MET . 2.0 m-85 -77.1 -8.39 57.39 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.369 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.694 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -71.79 -28.22 63.46 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -71.59 -37.83 70.95 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 109.934 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.7 mm? -69.11 -35.15 76.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.727 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -64.48 -44.3 91.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.805 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.84 -46.48 89.29 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.314 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -58.86 -50.02 75.58 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.887 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.3 tp -70.34 -27.04 30.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.33 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.04 -44.97 90.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.418 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 34.3 t30 -63.76 -50.23 69.84 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.404 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.86 -37.42 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.97 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.655 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.6 ttm -60.98 -43.14 99.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.143 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 109' ' ' ASN . 23.1 ttpp -52.67 -48.33 66.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.164 175.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.87 -62.43 1.65 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.947 0.403 . . . . 0.0 111.397 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.94 -52.27 38.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.817 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.4 m -66.18 -26.61 67.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.052 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -72.18 -47.71 48.68 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.046 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 p -68.43 -10.31 54.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.67 -62.44 1.36 Allowed 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.561 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.37 -12.76 61.61 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.613 0.244 . . . . 0.0 111.638 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.4 mt -96.52 -3.86 42.44 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.02 0.438 . . . . 0.0 110.535 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -128.67 133.57 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.483 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 31.7 t 58.82 21.42 9.02 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.698 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 31' ' ' PHE . 30.3 t70 -75.08 169.35 18.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.401 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.8 mp -75.15 37.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.757 0.823 . . . . 0.0 111.806 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 50.9 m-85 -72.68 -15.14 61.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 129' ' ' LYS . 2.2 mm? -98.57 142.89 29.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.552 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -76.02 -18.17 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.363 0.601 . . . . 0.0 109.521 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.62 -20.86 17.38 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.883 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 122' ' ' SER . 58.0 tptt -64.76 -38.22 90.24 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -121.18 98.38 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 33.6 p -52.02 101.23 0.03 OUTLIER 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.373 0.421 . . . . 0.0 110.771 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.98 128.64 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.44 97.1 2.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.41 0.624 . . . . 0.0 110.111 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.96 -165.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.555 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -47.42 104.64 0.06 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.948 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.47 140.61 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.389 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -104.8 152.13 22.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.755 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.448 -177.209 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.259 0.096 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.22 -10.59 59.99 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -100.85 8.08 43.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.083 0.468 . . . . 0.0 110.426 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -155.96 -163.89 1.59 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.7 tp 53.69 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.422 0.629 . . . . 0.0 112.135 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.53 -40.26 95.29 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.592 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 21.8 m -66.5 -30.38 70.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.012 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 30.8 p -71.45 -36.1 71.11 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.81 78.64 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.939 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 7' ' ' SER . 62.3 mttm -55.65 -65.54 0.58 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.808 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.4 m0 -64.69 -35.3 80.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.051 -172.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.76 0.49 50.44 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.997 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -82.41 -42.29 18.8 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 168.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -163.44 149.89 12.03 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 18' ' ' LEU . 63.8 tp -61.17 -28.65 69.28 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 172.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.75 -56.09 24.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.423 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.497 HD22 ' HB3' ' A' ' 13' ' ' ALA . 91.8 m-20 -55.89 -40.88 73.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.659 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 28' ' ' PHE . 16.0 tp -57.07 -42.31 80.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.041 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.58 0.99 54.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 111.097 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -108.33 -32.05 7.61 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.352 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 21.3 t70 -90.02 134.07 32.46 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.94 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.527 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.89 -59.56 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.959 2.439 . . . . 0.0 112.584 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.41 -35.95 70.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.329 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -62.78 5.97 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.487 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.88 -34.79 60.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -64.86 -59.87 3.71 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.591 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -67.96 -28.28 67.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.632 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 18' ' ' LEU . 24.8 t80 -65.46 -47.05 77.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.012 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HA ' HG11 ' A' ' 41' ' ' VAL . 67.0 ttt180 -63.5 -40.05 96.06 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.9 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.1 tp10 -66.95 -41.48 86.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.314 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 64.9 t80 -65.57 -50.24 65.88 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 35' ' ' GLU . 34.2 mt -62.57 -28.27 69.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.548 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 35.3 ttmt -59.76 -40.03 86.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.3 0.571 . . . . 0.0 109.91 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -82.6 -18.87 39.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.087 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 29.7 mm-40 -82.21 -15.01 54.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.336 173.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.2 t80 66.27 64.46 0.52 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.98 0.895 . . . . 0.0 109.048 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 49.0 m -157.99 15.73 0.23 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.985 -177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.0 pt-20 -66.33 -23.25 66.33 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -57.31 -42.24 81.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.464 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.603 ' HB3' ' O ' ' A' ' 37' ' ' SER . 7.2 t30 -58.03 -61.78 2.3 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.726 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.511 HG11 ' HA ' ' A' ' 29' ' ' ARG . 7.7 p -60.86 -37.63 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.13 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' NH2' ' A' ' 29' ' ' ARG . 34.1 mt -67.35 -36.67 81.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.199 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -60.63 -44.91 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.12 -48.57 77.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.36 -43.35 92.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.196 0.522 . . . . 0.0 110.251 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.5 -31.89 69.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.18 -176.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 51.4 t -75.99 -34.84 59.77 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.84 0.352 . . . . 0.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.91 -54.58 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.83 -39.75 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.978 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 77.9 t80 -56.12 -47.46 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.254 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.3 tmmm? -76.24 -20.89 56.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.672 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -84.35 -37.65 21.32 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.829 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 15.0 ptt? -142.6 -162.18 1.38 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.783 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.829 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 21.7 mt-30 85.32 126.72 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.262 1.025 . . . . 0.0 112.513 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 173.51 8.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.696 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 58.0 tptt -51.24 -54.66 23.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.092 0.245 . . . . 0.0 111.436 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.9 p -52.96 -61.43 2.3 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.525 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -51.76 -46.59 64.16 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.223 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 58.1 ttp -61.25 -38.47 86.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.31 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.7 mt-30 -62.73 -51.87 65.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 36.6 mt-10 -57.06 -49.37 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.53 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 tptm -56.46 -36.13 68.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.575 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.14 89.49 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.496 0.665 . . . . 0.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -71.35 -44.64 64.67 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.319 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 29.5 mm-40 -58.64 -63.67 1.2 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.522 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.0 pt -60.24 -40.22 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 39.7 t80 -73.11 -44.23 60.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.787 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.654 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 46.0 tpp -78.45 -23.47 46.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.74 -173.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -91.35 -31.11 16.19 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.73 -37.5 5.88 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 10.2 mp -113.11 -95.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 122.123 -0.361 . . . . 0.0 111.826 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 58.7 m 43.55 -159.78 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.638 -166.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 t -125.5 21.92 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.57 -141.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.024 -171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 78.19 -23.64 0.24 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.8 m 59.24 25.05 13.57 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.247 0.546 . . . . 0.0 110.763 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.4 m -146.71 30.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 8.0 tt0 -83.31 142.91 30.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.911 -173.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 107' ' ' ILE . 7.2 p -89.12 157.64 3.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.12 173.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -71.2 82.37 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.283 0.563 . . . . 0.0 111.093 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.58 112.72 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.779 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG3' ' HG3' ' A' ' 84' ' ' GLN . 10.6 pt-20 -76.26 -171.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.124 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.57 42.13 1.71 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.688 -175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.67 ' HG3' ' HG3' ' A' ' 82' ' ' GLU . 98.5 mt-30 -77.73 -32.05 52.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 m -148.65 106.64 3.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.462 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 3.2 mmp_? -117.18 135.79 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.225 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mp -101.62 136.3 41.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.215 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.1 m-20 -83.77 146.18 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 2.6 mp0 -45.87 -36.36 5.26 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.883 0.373 . . . . 0.0 111.637 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -75.13 -23.86 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 88' ' ' ASN . 11.6 tt -73.32 -23.2 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.351 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.11 -16.56 54.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.02 -9.71 57.74 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.316 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 8.5 pt-20 -143.54 57.02 4.98 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 52.0 Cg_exo -53.81 139.52 68.57 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.949 2.433 . . . . 0.0 113.549 -172.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 79.8 m-70 -115.05 144.48 32.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.244 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 14.1 Cg_endo -54.88 -36.47 91.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.827 2.351 . . . . 0.0 113.385 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 101' ' ' GLN . 70.5 mt -110.46 18.44 19.78 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.421 -0.174 . . . . 0.0 111.447 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 27.4 ptm -63.2 -23.48 67.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 111.517 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -97.63 -2.71 40.93 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.542 ' HG3' HD22 ' A' ' 98' ' ' LEU . 26.0 mm-40 -75.58 78.91 2.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.925 0.869 . . . . 0.0 108.987 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 tttp 166.6 -44.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.415 -1.721 . . . . 0.0 106.868 -171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 87' ' ' LEU . 3.4 mm? -74.15 -40.18 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.75 176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.728 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 65.1 tt0 -61.16 -43.2 99.25 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.299 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.46 -48.83 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -54.76 -53.9 49.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.745 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.2 tp -66.13 -26.79 39.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.512 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.74 -49.45 62.46 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.175 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.28 -39.94 95.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.84 -39.2 83.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.799 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 36.2 ttm -62.01 -44.11 97.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.92 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -56.71 -60.43 3.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.513 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.08 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 0.0 110.512 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 11.2 t70 -64.51 -68.47 0.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.052 -173.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.3 m -66.73 -37.68 85.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -167.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 80.7 t80 -71.62 -31.88 67.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.766 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -69.46 -35.96 76.12 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.913 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 47.8 mtt180 -63.1 -49.64 73.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 109.79 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 42.4 t80 -54.99 -50.3 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.747 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.16 -11.9 59.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -68.01 -56.44 8.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.7 t -166.74 68.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.622 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.524 ' O ' HD23 ' A' ' 126' ' ' LEU . 29.7 t70 -70.81 179.61 2.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.266 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 34.8 mt -82.76 -7.05 59.68 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.495 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -80.06 2.58 23.36 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.12 -0.362 . . . . 0.0 111.641 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 123' ' ' ASP . 4.0 mm? -86.7 170.13 12.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -86.1 -48.91 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -88.65 87.72 7.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 166.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -111.22 179.89 3.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.616 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -92.08 151.37 20.47 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.8 m -53.17 107.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.97 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' HG2' HD13 ' A' ' 124' ' ' LEU . 36.2 mt-10 -64.04 -31.4 72.58 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.259 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.19 -177.82 6.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.313 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.59 137.43 40.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.66 103.36 0.25 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.253 0.549 . . . . 0.0 109.758 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -91.25 141.4 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.641 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -132.43 -37.51 1.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.229 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.049 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.6 mtt -88.02 -35.96 17.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.76 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -55.15 131.05 44.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.3 9.18 6.79 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.884 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -130.92 -91.15 0.44 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.727 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 26.8 m -59.11 -38.54 79.83 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.133 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 p -66.02 -40.41 91.03 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.59 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.573 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 46.2 mtmt -54.93 -61.21 2.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.722 0.772 . . . . 0.0 111.277 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.9 m0 -69.67 -38.16 76.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.818 -172.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 1.54 26.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.679 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.03 -46.06 13.3 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 167.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -160.01 135.17 8.02 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.394 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.97 -28.36 67.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.835 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.7 mp0 -63.12 -42.89 99.62 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -56.26 -47.31 78.82 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.807 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.8 tt -56.01 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.442 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.3 -12.42 61.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.982 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 54.3 mt-10 -105.21 -22.14 13.12 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.078 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.87 130.75 43.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.75 -54.62 4.54 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.619 2.212 . . . . 0.0 112.44 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.551 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 48.5 mt-10 -58.31 -40.74 82.85 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.93 -62.77 5.93 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.18 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.42 -40.06 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.676 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -82.11 -31.93 30.43 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 62.6 mtt180 -77.93 -30.37 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.342 0.591 . . . . 0.0 109.634 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.73 -33.48 75.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.034 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' HG11 ' A' ' 41' ' ' VAL . 55.7 ttp180 -66.61 -52.59 43.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.908 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.0 pt-20 -64.3 -37.17 86.53 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 124' ' ' LEU . 83.3 t80 -57.19 -64.26 0.94 Allowed 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.848 175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB2' ' A' ' 37' ' ' SER . 27.9 mt -62.03 -24.55 67.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.44 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 25.2 ttmm -61.6 -47.92 83.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 110.503 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -86.89 -24.52 24.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.67 . . . . 0.0 110.835 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.645 ' HG3' ' NH1' ' A' ' 118' ' ' ARG . 7.4 tp10 -82.49 5.81 19.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.367 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 53.54 75.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.222 1.009 . . . . 0.0 111.957 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB2' HD22 ' A' ' 32' ' ' LEU . 73.5 m -169.93 25.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.277 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.726 ' HB3' ' HA ' ' A' ' 33' ' ' LYS . 16.9 pt-20 -68.94 -26.13 64.91 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.9 mp0 -59.06 -39.78 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.83 173.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.641 HD21 ' HG3' ' A' ' 111' ' ' MET . 36.2 t30 -64.07 -59.33 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.209 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -59.7 -41.46 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.34 -33.49 74.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.26 -48.47 81.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.526 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.17 -47.85 82.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.417 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.97 -47.23 85.86 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.367 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.46 70.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.703 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 35.5 t -75.33 -34.77 61.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 mm-40 -59.71 -56.19 24.99 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -57.48 -36.28 71.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t80 -55.36 -36.59 66.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.52 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 14.0 tmtt? -88.98 -30.32 18.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.091 -177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.7 mmtt -65.69 -62.29 1.59 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -103.45 22.69 13.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 3.9 pt20 -69.16 99.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -170.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -97.03 148.74 22.69 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 156.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 31.6 mtpt -46.68 -44.52 18.67 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.437 0.562 . . . . 0.0 112.458 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -56.2 -49.37 74.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.358 0.599 . . . . 0.0 110.554 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.3 -52.88 51.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.473 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 14.5 tmm? -61.76 -37.58 84.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.962 -174.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.2 mt-30 -65.87 -48.05 72.84 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 61.3 mm-40 -62.68 -31.37 72.25 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.973 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' ILE . 60.4 mmtt -76.89 -31.35 56.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.15 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.32 -55.14 27.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.195 0.522 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 8.6 ptmm? -61.09 -33.71 73.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.807 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.49 -74.33 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 62' ' ' LYS . 30.6 pt -60.83 -32.44 52.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.818 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.615 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 85.5 t80 -63.69 -58.14 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.232 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.25 -19.04 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.569 -173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 m -92.82 -51.2 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -97.55 -45.53 6.37 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 6.2 mp -82.77 -83.52 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 73' ' ' SER . 83.6 p 52.64 -69.0 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' LEU . 20.0 m 95.29 12.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.403 1.481 . . . . 0.0 108.593 -169.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' SER . 92.9 mttt -152.09 -89.83 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.459 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 39.39 -87.48 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.85 0.86 . . . . 0.0 113.104 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LYS . 27.7 m -169.03 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.529 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 m -155.97 101.4 2.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.64 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -86.47 134.98 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -64.56 145.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.13 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.48 78.57 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.3 m -119.96 137.52 53.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.266 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 37.2 mt-10 -64.3 157.84 24.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.579 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.22 -37.08 71.07 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.376 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.17 -13.94 62.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.289 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.3 m -101.96 -2.56 29.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.251 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.0 mtt180 -92.68 129.68 38.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.721 HD11 ' HG ' ' A' ' 103' ' ' LEU . 6.3 mp -71.07 86.35 0.74 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.333 0.587 . . . . 0.0 110.918 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -93.86 -1.41 54.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.765 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -80.56 160.7 25.08 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.685 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.75 16.24 0.54 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.026 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 92' ' ' LEU . 9.9 tt -62.35 -23.78 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.95 0.405 . . . . 0.0 110.893 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 91' ' ' ILE . 8.3 mp -73.67 -25.68 60.37 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.548 175.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.79 -45.03 60.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.172 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.15 86.38 47.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.575 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 27.7 Cg_exo -61.85 139.02 77.63 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.837 2.358 . . . . 0.0 112.494 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 99' ' ' MET . 30.8 m80 -124.03 142.33 39.42 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.54 -36.74 3.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.605 2.87 . . . . 0.0 113.721 -171.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.9 mt -72.15 -47.07 53.72 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.422 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 92.4 mmm 46.41 -82.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 48.0 m-85 -94.9 11.36 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.808 -171.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.0 mm-40 -69.99 155.59 40.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 168.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 45.4 mtmt 77.57 -47.72 0.49 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.571 0.748 . . . . 0.0 109.029 -165.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.1 mm? -66.37 -42.02 88.61 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.157 176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.49 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 44.7 tt0 -64.46 -38.47 91.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.128 0.489 . . . . 0.0 109.8 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.58 -40.91 98.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.702 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -54.08 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' GLN . 7.0 tp -63.95 -24.05 34.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.79 -45.97 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -78.41 -37.31 44.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.916 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.16 -51.34 47.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.641 ' HG3' HD21 ' A' ' 40' ' ' ASN . 43.7 ttp -58.63 -37.47 75.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.246 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 84.1 tttt -64.07 -58.26 7.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -53.8 -67.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.12 0.486 . . . . 0.0 110.459 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.67 -68.07 0.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.31 -176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.1 m -73.68 -44.16 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -169.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.686 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.0 t80 -71.44 -31.52 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.865 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -68.34 -43.88 76.54 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.887 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.645 ' NH1' ' HG3' ' A' ' 35' ' ' GLU . 70.3 mtm180 -65.58 -30.25 70.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.955 0.407 . . . . 0.0 110.384 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.89 -47.46 86.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.299 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.96 -21.33 60.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.757 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 8.6 tmtt? -65.93 -46.9 76.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.091 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 t -175.46 85.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.519 ' O ' HD23 ' A' ' 126' ' ' LEU . 30.5 t70 -77.69 -175.04 3.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.957 ' HB3' ' HA ' ' A' ' 130' ' ' ARG . 2.5 mm? -80.84 -28.42 36.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.053 0.541 . . . . 0.0 111.472 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 5.17 0.55 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -173.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 123' ' ' ASP . 4.5 mm? -73.38 -48.62 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.456 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -146.33 -158.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -63.96 -4.65 3.54 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.126 0.489 . . . . 0.0 110.168 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -45.7 -27.05 0.73 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.421 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.957 ' HA ' ' HB3' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.04 123.57 12.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.578 0.704 . . . . 0.0 111.849 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.6 m -77.07 86.73 3.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.783 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.32 109.99 1.29 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.592 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.35 101.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.885 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 137' ' ' ASP . 45.1 mt-10 -89.76 2.75 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.573 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.68 -59.3 4.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 171.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -90.41 64.0 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 24.9 t70 -79.27 -41.28 28.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.367 -173.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.0 mp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.917 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.464 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 18.2 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.52 129.01 38.57 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.729 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 80.6 mt-30 -108.71 24.57 12.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.711 -172.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' HG23 ' A' ' 8' ' ' THR . 55.8 m -149.28 160.03 43.75 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.717 0.294 . . . . 0.0 111.147 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 69.52 -82.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.923 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.23 -58.99 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.603 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 p -73.15 -30.74 63.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.485 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 4' ' ' SER . 44.6 p -67.44 -30.2 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.079 -0.388 . . . . 0.0 110.167 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.03 86.5 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.614 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' SER . 3.0 mmmp? -56.33 -56.85 16.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 174.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.889 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.0 m0 -70.29 -25.89 63.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.584 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.67 -1.51 58.11 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.395 174.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -79.75 -47.76 14.73 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 169.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.7 p -159.47 151.81 21.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.73 -26.67 68.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.192 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.02 -58.21 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.895 173.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 72.7 m-20 -56.0 -42.94 77.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.009 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.6 tt -54.72 -48.2 72.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.004 0.431 . . . . 0.0 110.243 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.46 5.9 43.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -107.32 -60.07 1.74 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.889 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 20.5 m-20 -66.28 122.77 83.08 Favored Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 12.3 Cg_endo -54.64 -43.16 61.62 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 0.0 111.783 -177.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 1' ' ' SER . 6.3 mm-40 -57.9 -33.54 68.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.25 -49.45 61.49 Favored Glycine 0 CA--C 1.502 -0.762 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.84 -35.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.729 0.299 . . . . 0.0 111.102 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 15.1 mmtp -72.34 -48.79 39.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.924 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 3' ' ' GLN . 15.1 mtp-105 -61.36 -43.52 98.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.288 0.566 . . . . 0.0 110.373 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HD1' ' HD2' ' A' ' 119' ' ' PHE . 52.1 t80 -59.3 -39.14 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.964 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 58.4 ttp180 -69.33 -50.75 43.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.812 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 7.1 pt-20 -63.74 -34.88 78.87 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' HZ ' ' HG2' ' A' ' 118' ' ' ARG . 17.6 t80 -60.64 -55.27 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.475 173.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 37' ' ' SER . 28.1 mt -76.19 5.35 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.544 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 28.3 mtpp -94.08 -56.1 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.5 -35.74 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.97 -7.39 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.0 t80 61.97 83.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 111.968 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . 67.3 m -157.63 30.51 0.27 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.995 173.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.69 -37.51 68.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.305 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 43.5 mt-10 -53.73 -41.46 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.519 HD21 ' HG3' ' A' ' 111' ' ' MET . 5.1 t30 -67.97 -61.6 1.79 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.156 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -60.09 -44.31 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.084 -175.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.52 -36.09 83.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.869 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.59 -51.96 67.71 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.118 0.261 . . . . 0.0 111.062 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.84 -52.34 64.57 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.448 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -60.5 -30.33 69.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -70.28 -38.6 75.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.172 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.16 -32.59 73.8 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.006 0.431 . . . . 0.0 110.567 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.05 -58.85 6.68 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.477 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -66.3 -29.35 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.701 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 17.7 t80 -52.79 -65.16 0.61 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.237 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' LYS . 1.4 tmtp? -63.67 -36.81 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.141 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 49' ' ' ASP . 34.1 ttpt -60.45 -53.69 54.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -172.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -116.67 4.41 13.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 4.0 pt20 -49.98 117.79 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -172.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.48 161.53 17.76 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 162.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 55.4 tptt -54.07 -57.02 12.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.781 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.9 m -66.93 -46.48 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.747 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.88 -50.59 70.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.353 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.731 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 14.3 tmm? -57.87 -43.85 86.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.844 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 26.8 mt-30 -59.29 -52.08 67.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.92 -50.45 74.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.473 ' O ' HG12 ' A' ' 66' ' ' ILE . 40.2 mmtm -64.59 -27.64 69.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.48 86.64 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.49 0.662 . . . . 0.0 109.804 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 74.2 mttt -73.35 -39.15 65.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.434 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.63 -70.58 0.15 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.419 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.9 pt -59.22 -35.0 55.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -172.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HB2' ' HZ ' ' A' ' 100' ' ' PHE . 83.5 t80 -62.75 -55.64 24.74 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.42 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 66.9 mtt -76.33 -19.58 58.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -97.2 -32.91 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 21.3 m-85 -111.98 -43.03 3.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.684 0.278 . . . . 0.0 111.456 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 81' ' ' VAL . 72.5 mt -90.31 -92.66 0.13 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 37.3 t 51.6 -156.63 0.13 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -125.14 11.02 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -145.57 -63.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.33 -150.55 0.27 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.82 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 m -76.52 -16.68 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 14.7 m 179.69 -29.99 0.01 OUTLIER 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.317 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 77' ' ' SER . 7.6 tt0 80.4 118.91 0.05 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.253 1.021 . . . . 0.0 110.731 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.19 151.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.242 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -76.43 63.07 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.355 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 71' ' ' LEU . 11.5 m -96.69 107.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.28 0.562 . . . . 0.0 110.66 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.54 115.73 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.447 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.52 79.96 0.32 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.911 -0.586 . . . . 0.0 113.11 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -68.47 -40.38 81.01 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -147.44 81.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.104 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -80.98 -179.76 7.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.205 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.1 mp -109.99 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.521 175.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.54 ' O ' HG22 ' A' ' 91' ' ' ILE . 46.3 m-80 -132.21 171.94 13.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.73 -37.05 75.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.968 0.413 . . . . 0.0 110.881 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 2.8 mptp? -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.883 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.2 tt -71.48 -15.15 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.958 0.409 . . . . 0.0 110.251 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 91' ' ' ILE . 11.1 mp -89.04 -24.12 22.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.368 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.73 -28.79 64.98 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -135.61 80.74 43.6 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.346 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.35 137.43 60.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.72 2.28 . . . . 0.0 112.41 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 99' ' ' MET . 26.7 m-70 -99.7 162.54 20.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.527 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 17.9 Cg_endo -56.54 -28.57 74.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.454 2.103 . . . . 0.0 113.167 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 101' ' ' GLN . 84.6 mt -96.83 -65.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.337 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 98.4 mmm 68.87 -68.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.246 0.619 . . . . 0.0 111.899 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' HZ ' ' HB2' ' A' ' 67' ' ' TYR . 87.2 m-85 -108.86 22.41 15.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.716 ' NE2' ' H ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -49.68 -44.71 48.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.535 -178.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -84.97 -29.35 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -66.56 -29.54 69.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -35.67 81.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -76.88 -38.51 53.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.256 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.41 -45.37 93.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.475 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 111' ' ' MET . 9.5 tp -72.11 -32.63 44.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.2 -39.3 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 7.4 t30 -74.89 -50.36 17.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.296 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.1 -55.19 20.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.451 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.519 ' HG3' HD21 ' A' ' 40' ' ' ASN . 58.4 ttp -54.29 -37.47 64.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.577 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 55.8 tttp -55.84 -62.97 1.34 Allowed 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 172.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -51.68 -71.71 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.701 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.61 -69.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.835 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -70.62 -35.85 73.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -166.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.704 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 93.1 t80 -75.21 -37.88 60.94 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.308 0.504 . . . . 0.0 110.501 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 121' ' ' LYS . 48.1 m -67.07 -46.15 75.2 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HG2' ' HZ ' ' A' ' 31' ' ' PHE . 56.5 ttt180 -58.98 -32.39 69.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.942 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 37.1 t80 -65.8 -51.21 60.94 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.978 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 53.7 mt -68.15 -19.57 64.82 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 9.2 mmpt? -79.89 12.47 2.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.198 0.523 . . . . 0.0 110.529 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 126' ' ' LEU . 29.8 m 96.44 84.57 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.599 170.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 119' ' ' PHE . 16.9 p-10 -72.82 -49.6 29.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.649 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' ARG . 3.5 mm? -127.45 -149.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.404 ' H ' ' HB3' ' A' ' 124' ' ' LEU . 0.4 OUTLIER 54.31 10.79 0.34 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.691 0.796 . . . . 0.0 112.879 -173.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -100.84 144.79 29.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 160.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.69 -21.4 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -80.41 -14.54 58.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.9 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 20.6 mmtp -107.24 -41.43 5.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.657 ' HA ' HD12 ' A' ' 124' ' ' LEU . 43.8 ttp180 -64.56 134.92 55.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.839 -174.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.9 m -64.69 83.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.87 162.38 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.717 -170.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.58 109.3 0.87 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.809 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.75 -2.72 21.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.146 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.93 96.97 4.47 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.31 164.55 24.75 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.32 -44.64 67.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.417 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.635 177.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.81 0.338 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.0 mtt -84.09 165.41 18.53 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.479 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 46.5 mt-30 62.56 13.33 6.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.405 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.1 p -169.57 -167.28 0.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.84 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp 56.64 -90.27 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 111.138 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 21.0 pttp -61.57 -43.04 99.59 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.86 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 19.7 m -73.08 -44.31 60.66 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.701 -175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HA ' ' A' ' 4' ' ' SER . 22.6 p -64.91 -38.08 89.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -62.23 -35.01 77.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.505 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 7' ' ' SER . 29.5 mtpp -56.25 -64.54 0.83 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.7 0.762 . . . . 0.0 110.654 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 2.8 m0 -65.51 -38.07 88.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.87 -172.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.01 6.84 34.06 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -83.5 -56.16 3.9 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 166.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -149.17 142.1 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.072 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 18' ' ' LEU . 53.1 tp -55.51 -33.28 63.61 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.969 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.383 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 88.3 m-20 -64.01 -44.19 93.37 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.33 0.586 . . . . 0.0 109.941 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 15' ' ' LEU . 23.0 tp -55.29 -46.94 76.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.944 176.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -79.93 -7.2 58.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.073 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -87.16 -66.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.272 0.558 . . . . 0.0 109.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 32.5 t70 -68.87 112.49 11.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.04 -178.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 18.9 Cg_endo -57.43 -34.79 98.54 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.597 2.198 . . . . 0.0 111.728 -175.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.7 -35.79 81.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.311 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA3' ' NE1' ' A' ' 11' ' ' TRP . . . -64.86 -54.13 30.06 Favored Glycine 0 CA--C 1.506 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.945 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.83 -33.83 5.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 123.555 0.209 . . . . 0.0 111.178 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -64.7 -58.91 4.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.714 177.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' NH2' ' HB3' ' A' ' 3' ' ' GLN . 67.3 mtt-85 -61.94 -30.76 71.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.132 0.491 . . . . 0.0 110.765 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 18' ' ' LEU . 60.7 t80 -73.18 -43.09 61.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 56.7 ttp180 -63.44 -54.88 29.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.489 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 pt-20 -58.79 -38.33 78.32 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 -177.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 122' ' ' SER . 68.8 t80 -58.19 -49.96 75.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.391 0.615 . . . . 0.0 109.853 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 37' ' ' SER . 35.2 mt -67.4 -23.7 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 30.9 mtpp -68.24 -30.85 70.0 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 72.8 mmtt -67.22 -46.68 73.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.26 11.71 31.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.226 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 64.52 16.23 10.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.372 0.669 . . . . 0.0 112.414 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 32' ' ' LEU . 20.7 t -93.76 13.32 22.72 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.729 0.776 . . . . 0.0 109.875 176.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' HG12 ' A' ' 41' ' ' VAL . 13.8 pt-20 -62.81 -26.14 68.59 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.102 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.7 -31.47 69.62 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.956 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.585 ' HB3' ' O ' ' A' ' 37' ' ' SER . 13.4 t30 -67.74 -61.07 2.05 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.57 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.2 p -59.83 -40.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.277 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -65.82 -36.12 82.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.764 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.68 -51.34 69.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.672 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.54 -48.53 74.73 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.88 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.2 -42.78 91.72 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.874 0.369 . . . . 0.0 110.682 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.47 -41.53 98.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.91 -27.65 62.96 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.12 -51.52 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.56 -34.03 75.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.914 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 49.4 t80 -50.94 -63.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.412 173.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -55.41 -27.73 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.414 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -76.74 -29.76 56.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.276 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.404 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 22.9 ptt? -132.95 18.06 4.15 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.85 85.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.654 0.74 . . . . 0.0 112.898 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.36 164.18 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.758 166.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 56.2 tptt -47.18 -58.48 4.02 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.628 0.252 . . . . 0.0 111.368 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -65.63 -53.09 46.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.643 0.258 . . . . 0.0 111.107 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 53' ' ' MET . 26.6 mt-30 -53.27 -47.38 69.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.657 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.1 ttp -59.47 -41.5 89.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.807 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.784 ' HG2' ' HD2' ' A' ' 95' ' ' PRO . 20.5 mt-30 -70.2 -56.07 7.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.21 -53.24 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.0 mmtm -65.38 -26.42 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.555 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.14 77.11 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.301 0.572 . . . . 0.0 109.822 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 46.7 mttm -78.62 -35.26 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.29 -60.41 3.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -64.37 -32.16 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.613 0.244 . . . . 0.0 111.062 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.05 -55.49 28.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.471 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -58.17 -35.56 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.619 -176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -83.83 -60.22 2.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.12 -20.86 23.76 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -168.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.8 mt -121.53 -83.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.3 m 47.18 24.23 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.033 0.533 . . . . 0.0 111.194 -170.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 4.5 p 44.76 27.22 0.24 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.516 0.727 . . . . 0.0 111.962 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 73' ' ' SER . 40.1 ttmt 172.06 -78.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.356 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 72' ' ' SER . . . 50.98 -87.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.081 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -152.42 -29.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -159.98 77.96 0.67 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 7.9 tt0 -62.21 153.68 29.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.183 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.83 144.39 13.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.57 82.63 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.895 0.379 . . . . 0.0 110.627 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.28 145.35 33.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.637 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -81.67 163.61 22.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.612 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.35 54.31 4.87 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.348 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -84.26 140.06 31.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 171.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 p 45.94 68.97 0.51 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.467 0.651 . . . . 0.0 109.444 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -49.83 128.59 18.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.485 -170.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 92' ' ' LEU . 74.0 mt -75.11 92.08 2.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.903 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -173.54 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.442 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -70.07 74.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.576 -173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 46.12 21.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.44 0.696 . . . . 0.0 112.695 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 HD22 ' A' ' 92' ' ' LEU . 12.8 tt -87.31 -24.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.013 -173.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 91' ' ' ILE . 2.6 mm? -85.65 -25.8 26.38 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.52 -61.52 1.74 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.996 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -128.28 91.73 43.35 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 109.916 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.784 ' HD2' ' HG2' ' A' ' 60' ' ' GLN . 53.9 Cg_exo -54.42 144.22 62.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.958 2.439 . . . . 0.0 112.403 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 55.7 m-70 -87.03 152.32 53.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 18.6 Cg_endo -55.59 -20.3 26.72 Favored 'Trans proline' 0 N--CA 1.481 0.789 0 C-N-CA 123.434 2.756 . . . . 0.0 114.322 -168.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 96.5 mt -132.92 20.64 4.14 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.346 -0.221 . . . . 0.0 111.088 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.576 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.33 -48.98 59.82 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.338 -173.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -20.25 59.77 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.208 -0.308 . . . . 0.0 110.709 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 104' ' ' GLN . 1.9 mp0 -64.56 -29.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.128 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.3 mmtt -73.03 -41.99 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.3 -41.76 89.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 107' ' ' ILE . 19.1 pt20 -69.92 -32.62 71.0 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.84 -39.94 95.4 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.175 0.512 . . . . 0.0 109.852 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.39 -51.74 66.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.74 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 111' ' ' MET . 10.1 tp -67.77 -23.38 29.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.314 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.69 -48.81 73.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.233 0.539 . . . . 0.0 109.84 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.06 -46.93 82.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.018 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -32.73 74.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.6 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 37.5 ttm -61.6 -46.81 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 58.8 tttm -54.21 -58.65 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.93 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -56.62 -69.19 0.16 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.213 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.41 -61.43 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.02 -173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 111' ' ' MET . 33.4 m -62.69 -25.13 68.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.1 m-85 -69.74 -53.83 16.58 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.174 172.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 25.5 p -71.23 -6.82 42.56 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 121' ' ' LYS . 24.4 ttm-85 -98.02 -49.08 4.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.419 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 125' ' ' PHE . 54.6 t80 -63.27 -58.51 6.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.104 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 123' ' ' ASP . 73.1 mt -62.64 -14.07 39.08 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' A' ' 121' ' ' LYS . 0.5 OUTLIER -73.82 -30.61 62.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.395 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 50.5 m -143.87 39.78 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 109.928 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p-10 -56.61 157.43 5.3 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.671 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.0 mt -88.34 -15.37 35.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.656 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' HE1' ' HE1' ' A' ' 119' ' ' PHE . 1.3 p90 -85.64 64.42 8.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.968 0.889 . . . . 0.0 111.07 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.0 -71.38 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.328 -1.306 . . . . 0.0 108.657 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -124.68 -153.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 50.62 0.86 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.344 0.592 . . . . 0.0 110.012 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -70.74 -30.35 66.85 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 27' ' ' ARG . 18.2 ttt180 -64.21 143.1 58.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 170.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.4 m -55.32 102.07 0.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.227 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.589 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.41 68.16 5.76 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 167.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.4 -174.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.498 -171.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.28 3.06 0.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.685 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -138.9 146.66 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -91.73 -78.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 110.314 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.93 177.638 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.499 0.19 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 tpt -178.04 149.47 0.56 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.774 0.43 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -67.82 85.03 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.978 0.418 . . . . 0.0 111.402 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.683 ' HA ' HG23 ' A' ' 8' ' ' THR . 48.0 m 65.82 -172.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.525 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 tp 62.95 -86.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 52.3 tptt -64.88 -55.38 19.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.521 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 73.6 m -65.46 -35.81 82.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 4' ' ' SER . 18.7 p -68.94 -35.85 77.25 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.617 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.22 84.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.821 172.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' SER . 8.4 mtpm? -56.17 -54.77 41.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.508 0.671 . . . . 0.0 110.553 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' HE1' ' CB ' ' A' ' 21' ' ' ASP . 7.0 m0 -71.77 -32.66 67.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.446 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . . . -86.56 0.28 54.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.587 177.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 -44.71 15.29 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 168.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.43 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 52.2 m -152.13 134.04 14.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.121 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 18' ' ' LEU . 31.8 tp -54.99 -33.53 62.6 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.896 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 14' ' ' SER . 2.9 pm0 -67.3 -35.97 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.91 -46.02 91.19 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 15' ' ' LEU . 16.3 tp -51.68 -51.08 58.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.701 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -75.99 -8.89 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.69 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -35.91 12.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.495 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.521 ' CB ' ' HE1' ' A' ' 11' ' ' TRP . 13.9 t70 -90.1 136.76 28.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.216 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.7 Cg_endo -55.16 -56.07 2.64 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.539 2.159 . . . . 0.0 111.778 175.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 45.5 mt-10 -57.47 -41.6 80.95 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.16 7.71 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.536 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 45' ' ' LEU . 63.3 t -59.71 -33.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 3.5 mmtp -69.14 -52.01 32.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.495 0.188 . . . . 0.0 111.248 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 56.0 mtt180 -65.64 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.765 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' A' ' 18' ' ' LEU . 48.8 t80 -69.67 -39.99 76.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.356 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG3' HG11 ' A' ' 41' ' ' VAL . 51.5 ttt180 -66.03 -48.71 70.21 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 12.7 pt-20 -63.24 -34.88 78.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.613 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.422 ' HB2' HD22 ' A' ' 124' ' ' LEU . 85.0 t80 -59.2 -47.94 83.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.552 0.691 . . . . 0.0 109.56 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.785 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 59.4 mt -71.98 -22.22 61.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.999 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 30' ' ' GLU . 21.6 ttmm -65.21 -54.71 25.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.468 . . . . 0.0 110.124 -177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.71 -27.14 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.057 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -80.54 -8.14 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.154 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 65.22 68.63 0.49 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.359 0.599 . . . . 0.0 110.913 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.785 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 10.1 t -148.92 28.15 0.85 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.542 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.07 -40.93 67.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.0 mp0 -57.23 -43.62 83.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.151 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.424 HD21 ' HG3' ' A' ' 111' ' ' MET . 22.2 t30 -60.56 -64.86 0.81 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.181 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.4 p -61.81 -41.27 90.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.419 -175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -73.25 -29.4 62.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.573 -177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.52 -41.01 93.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.185 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.3 -49.52 73.67 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 25' ' ' VAL . 52.3 mt -57.9 -48.46 79.79 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.361 0.601 . . . . 0.0 110.216 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.51 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.912 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.9 -40.29 87.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 22.5 mm-40 -61.76 -55.18 32.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -54.78 -45.01 74.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.447 0.641 . . . . 0.0 110.162 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 60.6 t80 -53.59 -34.01 56.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.275 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.45 -22.45 16.57 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 68.7 mttm -81.08 -18.74 45.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.801 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 18.0 ptt? -152.72 -163.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.801 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 22.3 mt-30 81.76 133.58 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.928 0.891 . . . . 0.0 112.211 174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.6 168.33 11.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.1 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 1.7 tmtp? -56.63 -47.41 79.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' HE21 ' A' ' 60' ' ' GLN . 63.6 m -59.96 -50.4 73.92 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.11 -48.09 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.5 ttp -51.81 -40.3 60.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.975 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 46.3 mt-30 -68.01 -49.66 60.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.36 -27.63 68.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.273 0.559 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.528 ' HG3' ' OE1' ' A' ' 54' ' ' GLN . 71.5 mmtt -85.99 -17.54 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.84 5.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.412 0.625 . . . . 0.0 109.315 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -56.9 -36.93 70.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.014 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.35 -70.0 0.14 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.286 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 62' ' ' LYS . 28.4 pt -58.56 -34.55 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.685 0.278 . . . . 0.0 110.938 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.24 -51.57 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.985 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 ttt -74.74 -20.51 59.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 m -82.61 -45.48 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.544 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 71' ' ' LEU . 44.3 m-85 -105.72 -34.12 7.8 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 71' ' ' LEU . 5.3 mp -102.06 -81.02 0.5 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.527 0.203 . . . . 0.0 110.876 -177.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t 52.89 -93.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -150.91 5.52 0.5 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 110.255 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 tttm 179.04 -54.1 0.01 OUTLIER 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.11 -81.46 0.02 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.509 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 m -127.85 -25.01 3.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.259 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 m -175.09 -38.03 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.696 0.798 . . . . 0.0 109.368 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 72.25 148.66 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.594 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 107' ' ' ILE . 7.5 p -100.85 148.82 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.524 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -91.66 86.56 6.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.028 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 m -88.77 114.66 27.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.494 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -65.87 83.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.335 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -121.09 145.21 17.12 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.467 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -61.79 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 0.0 110.624 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.49 ' HB3' ' OD1' ' A' ' 88' ' ' ASN . 13.4 m -104.93 -25.9 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.619 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' HD12 ' A' ' 87' ' ' LEU . 31.0 ttm180 61.21 -96.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.607 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD11 ' HG ' ' A' ' 103' ' ' LEU . 5.8 mp -141.08 117.95 11.1 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 171.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 85' ' ' SER . 20.1 m120 -92.51 98.64 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.761 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 15.12 -76.56 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.781 1.632 . . . . 0.0 114.499 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -64.09 -7.41 8.71 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.53 HG23 HD22 ' A' ' 92' ' ' LEU . 14.7 tt -67.17 -16.87 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -80.37 -11.84 59.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.09 -37.79 64.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 110.515 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -125.0 77.5 66.76 Favored Pre-proline 0 C--O 1.235 0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 109.908 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 8.6 Cg_exo -72.12 132.26 19.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.687 2.258 . . . . 0.0 112.133 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -109.45 149.1 39.36 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.45 -34.83 63.35 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.843 2.362 . . . . 0.0 113.573 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 85.4 mt -100.01 2.35 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.475 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.7 ppp? -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 110.367 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.475 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 61.0 m-85 -84.22 -31.83 24.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.696 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.497 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.93 -32.14 65.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.67 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.07 -42.03 99.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.444 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.554 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.7 mm? -79.66 -22.91 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.385 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . 63.1 tt0 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.081 0.467 . . . . 0.0 109.789 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.95 -45.01 95.56 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -54.73 -52.28 63.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.856 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 79' ' ' VAL . 7.1 tp -71.52 -20.6 21.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.693 -176.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.83 -42.99 63.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.55 -50.39 67.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.338 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 40' ' ' ASN . 47.9 ttm -57.33 -42.79 82.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.136 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.7 tttt -55.35 -67.06 0.31 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.881 177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.661 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.08 -75.63 0.06 Allowed 'General case' 0 C--O 1.244 0.788 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.242 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.534 ' HB3' HD21 ' A' ' 32' ' ' LEU . 16.0 m -72.56 -39.31 67.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.392 -169.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.685 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 55.2 t80 -76.69 -29.12 56.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 121.348 -0.141 . . . . 0.0 110.677 -171.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -66.59 -46.97 74.21 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.872 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -63.31 -35.89 81.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.073 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -55.76 -51.64 66.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.66 -40.84 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -61.67 -44.18 97.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.054 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -80.44 -14.85 57.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.517 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.44 ' HB2' ' NZ ' ' A' ' 129' ' ' LYS . 4.0 m-20 68.32 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.713 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 31' ' ' PHE . 25.6 tp -144.24 11.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.862 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -75.87 -12.54 60.18 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -101.36 142.16 33.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.132 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.34 -28.04 61.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -68.13 -26.01 65.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.894 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' NZ ' ' HB2' ' A' ' 123' ' ' ASP . 23.9 mmtp -84.28 -14.56 49.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -86.7 140.05 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.2 m -91.29 -38.7 12.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.544 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -77.48 120.66 22.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.649 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -91.31 -71.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.08 140.95 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.4 117.81 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.045 0.45 . . . . 0.0 111.12 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -116.56 -20.9 9.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 89.66 8.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.101 0.477 . . . . 0.0 110.454 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.249 1.042 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.452 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.592 0.234 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -125.71 97.14 5.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 110.471 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -93.52 -2.28 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.235 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 30.4 m -143.7 -156.87 0.73 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.601 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER 39.83 -107.26 0.07 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 83.8 tttt -50.2 -38.86 42.22 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -176.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 78.8 p -71.39 -41.46 69.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.0 110.297 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 40.7 p -69.53 -28.32 65.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.375 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.67 85.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.037 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 7' ' ' SER . 21.5 mmtp -54.67 -61.43 2.31 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.767 0.794 . . . . 0.0 110.688 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HH2' HH11 ' A' ' 27' ' ' ARG . 3.1 m0 -68.91 -34.1 74.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.988 -172.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.76 2.49 37.73 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.696 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.05 -48.54 10.5 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -155.47 142.84 19.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.151 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 18' ' ' LEU . 60.3 tp -58.82 -28.68 66.25 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.869 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.52 -47.61 83.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.969 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -55.84 -42.67 76.12 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.049 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 15' ' ' LEU . 20.2 tp -56.38 -39.57 73.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.962 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.02 0.15 57.27 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.731 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -106.95 -56.81 2.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.689 0.28 . . . . 0.0 110.798 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.32 117.75 43.32 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -51.52 -49.93 15.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.833 2.355 . . . . 0.0 112.136 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 51.6 mt-10 -50.47 -39.28 47.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.17 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.74 11.53 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.559 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.14 -38.27 38.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 122.303 0.241 . . . . 0.0 111.642 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.684 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.55 -38.69 21.37 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -174.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.684 HH11 ' HH2' ' A' ' 11' ' ' TRP . 71.0 mtt180 -72.31 -29.77 64.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.319 0.58 . . . . 0.0 109.831 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HD1' ' CD1' ' A' ' 119' ' ' PHE . 55.6 t80 -75.06 -41.75 58.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.137 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -58.98 -51.43 70.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.451 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.17 -26.02 65.55 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 -176.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 80.9 t80 -67.6 -52.66 35.78 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 28.8 mt -62.12 -25.41 67.71 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.966 0.413 . . . . 0.0 109.937 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -63.98 -34.04 77.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.716 176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 45.0 mmtm -66.59 -40.2 88.77 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 46.1 mm-40 -78.78 -10.29 59.73 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.051 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 59.65 56.87 3.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 109.644 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 29.4 m -134.57 26.29 3.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.799 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.5 tt0 -70.58 -23.96 62.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.176 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -39.51 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 1.9 p-10 -73.93 -42.98 59.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.886 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -64.86 -47.72 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.493 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.1 mt -65.79 -32.31 73.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.56 -44.03 93.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.616 0.245 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -63.09 -52.61 62.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.331 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.2 mm? -61.2 -33.51 73.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -42.63 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.74 -31.82 72.72 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.083 0.468 . . . . 0.0 110.359 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 34.4 tt0 -65.3 -60.39 3.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.56 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.66 -41.73 67.12 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.733 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.55 -45.96 63.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.707 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -74.95 -39.86 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.51 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 33.8 mmtp -63.53 -42.86 98.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.878 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -153.3 139.66 18.57 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.688 177.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 53' ' ' MET . 4.0 tp-100 171.62 140.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.748 0.655 . . . . 0.0 110.158 170.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.51 172.86 12.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.655 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.25 -67.45 0.37 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.7 p -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.259 0.552 . . . . 0.0 110.478 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -53.79 -49.28 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.6 ttp -53.33 -39.96 64.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.056 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.626 ' HA ' ' HG3' ' A' ' 95' ' ' PRO . 24.8 mt-30 -63.11 -51.03 68.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.086 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -72.76 -27.32 61.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.2 mmtt -70.96 -25.06 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 92' ' ' LEU . . . -69.71 -40.95 75.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 52.7 mttp -67.09 -37.59 84.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.368 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -59.1 5.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.965 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 62' ' ' LYS . 18.5 pt -64.53 -27.57 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.104 0.478 . . . . 0.0 110.894 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 83.2 t80 -62.33 -54.34 42.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 173.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.461 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 28.1 ttt -65.64 -33.75 76.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.538 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.2 p -82.35 -47.93 11.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -105.33 -45.47 4.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' A' ' 78' ' ' GLN . 82.9 mt -88.15 -91.61 0.12 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.759 -173.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 29.2 m 48.39 -164.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.814 0.446 . . . . 0.0 111.432 -172.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -80.77 -41.58 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 78' ' ' GLN . 61.8 mttm -156.38 -42.91 0.07 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.601 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.17 -78.0 0.03 OUTLIER 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.669 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -144.72 -7.73 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 m -162.67 -52.09 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 109.983 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 74' ' ' LYS . 48.0 tt0 73.33 152.68 0.13 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.311 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 p -80.85 144.17 11.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.343 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -79.47 82.83 5.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.376 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.03 142.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.32 146.21 44.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.563 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.18 25.39 1.59 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.476 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -64.06 -39.61 94.45 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.302 0.572 . . . . 0.0 109.77 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 38.6 m -152.82 119.74 5.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.825 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -114.84 143.33 45.28 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 87' ' ' LEU . 4.7 mp -100.17 155.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 111.178 -175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.64 ' O ' HG22 ' A' ' 91' ' ' ILE . 25.6 t-20 -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.788 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -42.02 -42.99 3.03 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.155 0.582 . . . . 0.0 112.465 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -61.88 -33.59 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.3 tt -75.45 -20.12 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.893 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 63' ' ' ALA . 3.1 mm? -79.42 -9.19 59.55 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.125 0.488 . . . . 0.0 110.455 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -85.4 -15.54 42.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.741 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.18 62.75 26.92 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.631 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 60' ' ' GLN . 97.6 Cg_endo -77.4 150.2 28.3 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.56 2.173 . . . . 0.0 113.019 -172.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' MET . 53.6 m-70 -128.58 119.37 20.33 Favored Pre-proline 0 C--O 1.22 -0.492 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -38.29 -47.44 2.37 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.808 3.005 . . . . 0.0 113.863 -169.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.95 -25.78 58.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.205 -174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.508 ' O ' HD23 ' A' ' 103' ' ' LEU . 22.3 ptm -54.8 -41.88 71.13 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.974 -177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -85.75 -15.25 42.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.56 -36.35 73.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -65.16 -52.44 55.06 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.022 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 99' ' ' MET . 4.5 mm? -60.64 -38.13 83.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.297 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.1 -42.03 89.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.96 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.216 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 25.9 mt-30 -55.06 -51.54 66.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 40' ' ' ASN . 9.9 tp -71.84 -23.67 22.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.206 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -65.35 -49.8 67.99 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.701 0.286 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.11 -42.91 99.7 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -40.45 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.444 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 44.4 ttm -65.67 -40.16 92.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 60.7 tttp -53.34 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.504 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.3 -69.32 0.13 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.6 -70.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.865 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 m -65.3 -34.01 77.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.6 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.6 t80 -73.26 -43.16 61.58 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.88 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.7 t -70.05 -31.85 69.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 35' ' ' GLU . 29.2 ttp85 -82.67 -14.93 53.79 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.567 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.438 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 80.8 t80 -76.53 -43.12 40.57 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.8 -4.78 42.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.914 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -106.83 148.45 28.5 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.3 t 52.93 35.18 18.49 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -167.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.17 162.97 2.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.92 -1.946 . . . . 0.0 113.518 -164.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 124' ' ' LEU . 4.3 mp -100.95 -21.48 15.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.604 -170.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.11 52.41 2.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.911 0.862 . . . . 0.0 110.027 177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.77 -163.26 1.01 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.004 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 34.9 mtmm -108.35 13.16 25.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.461 . . . . 0.0 109.793 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.21 -84.81 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 65.5 mttp -78.18 120.16 22.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 166.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 24.6 tpt180 66.32 149.67 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -173.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 67.9 m -107.27 124.25 49.5 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.18 -0.325 . . . . 0.0 110.125 176.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -50.69 109.57 0.33 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.56 83.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.777 0.799 . . . . 0.0 111.311 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.485 ' HG3' ' HG2' ' A' ' 135' ' ' GLU . 14.1 pt-20 -75.97 -35.02 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.772 175.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.485 ' HG2' ' HG3' ' A' ' 134' ' ' GLU . 72.9 mm-40 -107.48 155.3 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.553 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.5 -5.08 54.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.995 0.426 . . . . 0.0 110.503 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.11 118.8 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.838 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.605 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.1 mtt -86.98 77.04 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.065 0.459 . . . . 0.0 110.607 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -101.14 7.58 43.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -152.63 -169.51 3.36 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.814 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 8' ' ' THR . 1.4 tm? 60.39 -82.63 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.435 0.636 . . . . 0.0 110.29 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.36 -40.64 97.1 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.73 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 4.5 m -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.971 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 5' ' ' LEU . 13.1 p -70.85 -42.17 70.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.29 69.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.208 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.73 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 27.2 mtpp -56.47 -65.29 0.63 Allowed 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.753 0.787 . . . . 0.0 111.032 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.9 m0 -67.72 -31.72 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.013 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.6 53.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.788 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -80.85 -44.3 18.64 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 t -158.79 139.54 12.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.29 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 18' ' ' LEU . 47.9 tp -54.67 -32.4 59.17 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.086 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.61 -35.14 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.098 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 13' ' ' ALA . 95.7 m-20 -64.3 -43.29 95.21 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.877 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 15' ' ' LEU . 17.2 tp -54.93 -46.3 74.93 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.731 174.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.47 -6.1 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.335 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.56 -42.64 8.71 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -91.62 129.71 41.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.371 -171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.94 -53.25 7.12 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.006 2.471 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.06 -39.66 66.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 109.92 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.4 -65.14 3.64 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.794 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 45' ' ' LEU . 98.5 t -52.12 -43.94 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.664 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.3 -46.34 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.215 -173.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.16 -29.82 70.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.258 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 18' ' ' LEU . 64.9 t80 -67.35 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.762 175.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -62.62 -45.22 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.759 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.791 ' HG3' HH11 ' A' ' 130' ' ' ARG . 7.6 mm-40 -63.08 -35.76 81.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.15 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 88.6 t80 -63.89 -53.83 44.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.992 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.6 mt -66.38 -17.82 65.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.541 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.0 ttmm -66.92 -40.66 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.09 -38.24 72.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.187 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -84.43 -6.99 59.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.97 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.57 76.56 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 110.75 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -157.08 28.04 0.31 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.426 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' HA ' HG12 ' A' ' 41' ' ' VAL . 45.1 mt-10 -62.76 -27.53 69.35 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.134 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG3' ' HD1' ' A' ' 70' ' ' PHE . 19.4 mp0 -58.19 -37.28 74.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.831 176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.59 HD21 ' HG3' ' A' ' 111' ' ' MET . 32.9 t30 -68.25 -60.55 2.38 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.802 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -59.9 -40.11 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 51.4 mt -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.37 -53.25 59.02 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.55 -45.41 90.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.483 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 25' ' ' VAL . 17.4 mt -59.28 -38.79 81.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.751 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -69.67 -31.2 69.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.8 m -70.61 -33.08 70.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 109.89 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.87 -48.79 62.55 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' MET . 20.0 t70 -62.59 -37.8 87.63 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.272 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 6.4 t80 -50.83 -63.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.033 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -56.47 -29.41 61.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.835 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -65.2 -51.56 60.23 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -124.33 9.04 8.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -166.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 12.1 pt20 -57.67 88.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -89.75 137.41 32.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 160.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 6.6 ttpm? -46.54 -32.57 3.47 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -166.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 p -60.37 -56.11 25.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.279 0.562 . . . . 0.0 109.918 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.39 -48.49 81.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.437 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.9 ttp -49.83 -49.85 47.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.927 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 48.8 mt-30 -65.2 -52.24 55.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 22.9 mt-10 -73.85 -21.83 59.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -83.04 -21.93 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 176.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.54 -52.81 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -63.42 -34.92 78.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.828 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 11.6 tp10 -55.54 -74.11 0.05 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.207 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 46' ' ' ALA . 30.7 pt -65.1 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.438 -173.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 87' ' ' LEU . 50.0 t80 -62.58 -47.91 81.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.074 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.524 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -74.22 -26.29 60.17 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.6 p -100.55 -21.48 15.29 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' HD1' ' HG3' ' A' ' 39' ' ' GLU . 25.2 m-85 -122.32 -15.13 7.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.94 -92.63 0.36 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.203 -0.31 . . . . 0.0 110.81 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 8.8 t 55.25 -155.73 0.26 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.197 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m -87.53 -30.14 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.933 0.397 . . . . 0.0 110.435 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -155.15 -55.44 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 72.44 -64.21 0.4 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.831 173.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.9 p 154.52 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 -167.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 p -176.29 110.21 0.09 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.082 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' PHE . 4.5 pt20 -122.77 137.34 54.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.417 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.95 138.83 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.425 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -77.71 76.98 4.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.593 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 107' ' ' ILE . 13.2 m -73.92 82.01 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.112 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -74.13 100.5 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.545 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.45 -145.96 10.26 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -102.73 24.68 10.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.282 0.563 . . . . 0.0 110.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -87.59 97.36 10.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.345 -176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -134.68 120.98 20.17 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.199 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.3 mp -89.55 -33.09 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.432 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 57.29 -86.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.185 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' A' ' 90' ' ' LYS . 56.3 mt-10 -148.16 -59.3 0.25 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.316 -174.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HD2' ' H ' ' A' ' 90' ' ' LYS . 2.5 mptp? -59.9 -27.47 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -163.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.402 HG13 ' CD2' ' A' ' 96' ' ' HIS . 12.7 tt -81.21 -18.96 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 87' ' ' LEU . 2.0 mm? -89.45 -33.99 16.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 173.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.19 -40.88 90.75 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.582 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.54 84.05 62.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.715 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 33.5 Cg_exo -61.34 135.76 59.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.524 2.149 . . . . 0.0 111.824 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' ' 99' ' ' MET . 28.0 m-70 -91.37 159.49 39.06 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.045 -176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' HIS . 36.2 Cg_endo -63.2 -6.62 10.18 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.729 2.286 . . . . 0.0 113.6 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -129.61 -42.15 1.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.635 0.255 . . . . 0.0 110.505 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 86.6 mmm 71.05 -74.36 0.09 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 172.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 83.5 m-85 -93.36 27.0 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -163.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -76.07 139.04 41.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 170.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 101' ' ' GLN . 63.6 mttp 77.36 -45.16 0.46 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.03 0.932 . . . . 0.0 110.254 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.86 -58.93 6.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.164 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.56 -29.38 66.94 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.016 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.64 -37.34 86.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.753 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -51.2 54.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.283 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.48 HD13 HG12 ' A' ' 81' ' ' VAL . 8.7 tp -64.55 -28.58 45.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.47 -42.25 82.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -74.05 -51.46 15.73 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.121 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.97 -52.15 66.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.044 0.45 . . . . 0.0 110.385 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.59 ' HG3' HD21 ' A' ' 40' ' ' ASN . 46.6 ttp -58.09 -34.33 70.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.0 tttt -62.86 -61.36 2.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -50.85 -69.94 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.303 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.59 -71.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.048 -175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 m -71.21 -40.1 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -167.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.726 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 68.8 t80 -72.35 -41.49 66.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.729 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.4 m -66.7 -41.26 88.31 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.088 0.471 . . . . 0.0 109.818 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 31' ' ' PHE . 32.5 tpt180 -60.79 -38.91 86.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.343 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.82 -35.54 80.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.738 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 79.6 mt -76.65 -21.74 55.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -80.49 -68.75 0.65 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.584 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.55 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 28.2 m -74.7 108.53 7.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.88 81.74 0.07 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.138 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 31' ' ' PHE . 1.9 tt -92.6 3.67 55.11 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.736 0.779 . . . . 0.0 109.034 170.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -55.11 -25.51 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.279 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -97.57 154.9 17.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.218 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 68.6 mttm -81.33 5.89 15.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.449 0.643 . . . . 0.0 109.74 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.76 -33.45 73.92 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.951 172.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 124' ' ' LEU . 73.9 mmtt -97.62 -49.01 5.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.434 175.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.791 HH11 ' HG3' ' A' ' 30' ' ' GLU . 2.2 tpm_? -61.5 96.53 0.06 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.981 174.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.4 m -69.81 97.15 1.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.193 -169.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' HG3' ' HD3' ' A' ' 127' ' ' LYS . 4.0 mm-40 -85.79 -69.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.46 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -116.04 66.19 0.7 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.63 -172.16 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.79 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.88 -169.45 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.53 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.73 -35.52 24.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.298 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -68.51 117.61 10.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.927 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.651 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.966 0.412 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 58.5 mtt -75.31 88.59 2.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.321 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -71.15 -49.9 39.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.003 0.43 . . . . 0.0 110.92 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.9 m -153.51 111.76 3.62 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.391 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.813 HD12 ' H ' ' A' ' 7' ' ' SER . 2.7 pp 177.23 -143.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 5' ' ' LEU . 85.1 mttt -39.98 -36.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.327 0.584 . . . . 0.0 111.252 175.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.813 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.3 p -64.13 -54.24 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.345 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 3.2 p -63.51 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.12 87.71 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.935 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' SER . 96.7 mttt -54.65 -57.31 11.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.959 0.885 . . . . 0.0 110.374 175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.629 ' CH2' ' HB2' ' A' ' 7' ' ' SER . 4.1 m0 -76.14 -18.52 59.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.557 -169.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.01 -0.41 53.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.09 -56.84 3.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -156.77 154.37 29.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 111.791 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' ' OH ' ' A' ' 116' ' ' TYR . 46.6 tp -62.29 -28.1 69.49 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.921 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.25 -50.56 73.14 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.41 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' LYS . 91.6 m-20 -61.37 -44.72 96.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.287 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 23.5 tp -53.1 -44.52 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.346 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.53 -4.79 59.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.65 -69.46 0.67 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.618 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 4.5 m-20 -65.1 126.91 92.23 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.273 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 13.3 Cg_endo -55.83 -40.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.192 1.928 . . . . 0.0 110.515 175.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 43.5 mt-10 -55.76 -39.58 71.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.038 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.4 -58.21 14.45 Favored Glycine 0 CA--C 1.504 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -52.7 -33.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 123.603 0.237 . . . . 0.0 111.492 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.674 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -88.72 -29.82 19.54 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -175.069 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.0 mmp_? -68.69 -39.85 80.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CB ' HD11 ' A' ' 18' ' ' LEU . 56.3 t80 -72.14 -40.24 68.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.513 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 60.6 ttt180 -66.82 -46.42 75.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' PHE . 6.0 pt-20 -58.03 -39.49 78.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 38.8 t80 -57.45 -48.53 78.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 172.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' SER . 24.8 mt -72.15 -9.05 57.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.379 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtpp -80.81 -46.74 14.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 30' ' ' GLU . 12.8 ptpt -78.41 -24.18 46.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.476 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.26 -23.98 21.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.969 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.7 t80 72.51 87.87 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.948 0.899 . . . . 0.0 111.878 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.64 ' HB2' HD22 ' A' ' 32' ' ' LEU . 37.5 m -161.34 34.39 0.14 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.334 -1.303 . . . . 0.0 108.757 174.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.76 -36.93 81.39 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.989 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -60.56 -34.58 74.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 37' ' ' SER . 14.9 t30 -60.34 -66.43 0.53 Allowed 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.904 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 29' ' ' ARG . 7.7 p -61.77 -39.54 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.43 -33.45 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -63.18 -43.19 98.93 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.215 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -62.36 -51.28 68.25 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.134 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.09 -52.16 65.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.37 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.998 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 50.9 t -70.7 -33.44 70.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -65.94 -54.02 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -62.11 -28.68 69.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 176.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 65.3 t80 -57.09 -42.62 81.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.492 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -86.77 -35.71 19.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 36.1 ttpt -67.05 -32.27 73.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.014 -173.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.673 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.1 ptt? -143.91 -158.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.302 -177.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.673 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 23.7 mt-30 84.82 163.02 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.225 1.01 . . . . 0.0 112.523 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 15.1 t70 -115.3 168.65 9.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.887 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -41.85 -57.94 2.2 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.127 0.571 . . . . 0.0 111.589 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.8 p -63.09 -54.34 39.48 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 55' ' ' ASP . 84.4 mm-40 -54.91 -50.51 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.667 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.77 -41.08 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.18 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 49.9 mt-30 -60.97 -48.69 80.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.355 177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 40.8 mm-40 -64.56 -34.06 77.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.508 ' O ' HG12 ' A' ' 66' ' ' ILE . 53.5 tptt -70.46 -33.92 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.05 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.49 81.51 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 76.6 mttt -60.05 -41.43 92.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.093 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.89 -68.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.561 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' LYS . 25.5 pt -56.05 -33.88 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.105 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' SER . 84.0 t80 -62.76 -60.18 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.3 tpt -65.01 -22.15 66.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.736 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -86.72 -47.6 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.484 ' HB2' HD12 ' A' ' 71' ' ' LEU . 51.9 m-85 -100.94 -35.16 9.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -172.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 70' ' ' PHE . 5.4 mp -109.66 -77.74 0.59 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.633 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' TYR . 36.9 t 62.18 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.4 m -160.78 -48.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.0 -45.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.428 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.5 17.49 6.11 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.254 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m 69.55 -5.68 1.13 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.558 -174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p 165.59 104.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.29 0.636 . . . . 0.0 109.802 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.15 165.8 10.84 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 39' ' ' GLU . 7.4 p -53.39 150.93 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.645 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.45 48.44 1.58 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.928 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.528 HG12 ' HG ' ' A' ' 110' ' ' LEU . 29.1 m -81.78 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.685 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.32 -29.46 66.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.28 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 106.69 23.12 7.32 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 -174.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.21 110.17 1.78 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.1 t -132.42 86.62 2.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.935 0.397 . . . . 0.0 111.119 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 86' ' ' ARG . 16.4 mmm180 -91.26 -5.09 55.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.557 0.694 . . . . 0.0 109.828 170.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HG21 ' A' ' 91' ' ' ILE . 89.6 mt -71.74 176.8 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.242 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 92' ' ' LEU . 9.4 t30 72.63 -59.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.7 0.8 . . . . 0.0 111.175 -176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.53 91.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 123.532 0.733 . . . . 0.0 111.834 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 42.74 33.5 0.48 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.094 0.958 . . . . 0.0 113.355 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.652 HG21 ' HA ' ' A' ' 87' ' ' LEU . 14.5 tt -120.67 -30.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.787 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 88' ' ' ASN . 4.4 mm? -80.74 -25.37 38.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.828 0.346 . . . . 0.0 110.233 174.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.79 -27.53 66.82 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.38 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -142.57 89.02 8.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 17.9 Cg_exo -67.22 137.48 43.92 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.874 2.383 . . . . 0.0 113.129 -174.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 99' ' ' MET . 22.7 m-70 -126.86 132.23 24.23 Favored Pre-proline 0 C--O 1.218 -0.577 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -39.78 -53.48 2.33 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.194 2.596 . . . . 0.0 113.329 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 92.8 mt -61.9 -12.39 17.7 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 103' ' ' LEU . 28.3 ptm -55.71 -32.7 63.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.582 0.229 . . . . 0.0 111.048 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 99' ' ' MET . 58.3 m-85 -103.75 -21.14 13.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.465 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.5 mp0 -62.89 -38.54 91.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.583 0.23 . . . . 0.0 110.78 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.16 -39.72 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.101 0.477 . . . . 0.0 109.96 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 99' ' ' MET . 9.2 mp -75.85 -24.02 55.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.686 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.72 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.5 tt0 -68.19 -43.13 78.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.81 -41.36 99.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.789 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -57.91 10.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.656 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.8 tp -66.78 -25.34 34.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.42 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.32 -43.47 94.57 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.66 -48.24 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.528 ' HG ' HG12 ' A' ' 81' ' ' VAL . 3.2 tm? -65.61 -36.76 84.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.414 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 39.2 ttm -64.2 -50.08 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 87.3 tttt -52.71 -57.34 10.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.502 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.81 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.449 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.3 t70 -71.12 -55.04 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 111' ' ' MET . 18.7 m -62.04 -30.75 71.19 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -171.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 7.0 m-85 -76.72 -31.6 57.26 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.896 174.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -60.06 -21.95 62.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.035 0.445 . . . . 0.0 109.885 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 11.5 mmt180 -88.63 -55.79 3.57 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.984 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' A' ' 123' ' ' ASP . 56.4 t80 -71.87 -14.81 62.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.111 -170.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' HD2' ' A' ' 116' ' ' TYR . 91.1 mt -102.27 5.22 39.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 176.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -127.05 -64.04 1.03 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.447 -178.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.4 m -87.87 30.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.989 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 4.1 p30 -58.9 179.06 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.455 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.6 mt -117.4 18.32 14.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.629 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.0 -11.82 61.16 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.277 0.56 . . . . 0.0 109.743 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.6 mm? -102.9 137.56 40.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.513 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 93.7 mttt -75.2 -18.39 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -60.61 -24.08 65.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.977 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 23.6 tptm -105.06 -34.93 7.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.514 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 21.6 ttp-105 -128.03 96.04 4.36 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.126 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.573 HG22 ' H ' ' A' ' 133' ' ' GLU . 20.0 m -92.71 140.29 29.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.161 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.41 -32.72 74.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 109.507 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.573 ' H ' HG22 ' A' ' 131' ' ' THR . 29.6 mt-10 -70.85 91.65 0.86 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.459 175.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -52.3 118.06 3.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.735 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 136' ' ' GLU . 40.7 tt0 -72.51 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.525 -177.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 135' ' ' GLU . 8.0 mm-40 67.09 135.51 0.03 OUTLIER 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.986 0.804 . . . . 0.0 111.35 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.12 110.53 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.184 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.413 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.484 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -68.16 -60.44 2.47 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.49 135.27 53.99 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.769 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.767 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.7 m 61.5 -171.17 0.15 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp 59.2 -82.98 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.393 0.616 . . . . 0.0 111.6 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.84 -54.31 20.01 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.881 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 25.2 m -62.98 -35.78 81.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.055 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 4' ' ' SER . 24.1 p -71.7 -33.09 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.254 -0.279 . . . . 0.0 110.86 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.37 78.65 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.7 mmmp? -54.88 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 110.806 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 3.9 m0 -68.57 -32.35 72.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.569 -171.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.13 0.53 55.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.759 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.09 -53.28 7.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -148.98 142.79 25.64 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.845 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 18' ' ' LEU . 56.0 tp -59.03 -31.39 68.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.978 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.39 -42.8 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.723 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.73 -47.97 81.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.877 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 15' ' ' LEU . 26.9 tp -53.2 -46.83 69.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.152 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.79 -8.0 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.612 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.37 -57.26 2.45 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.719 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 66.5 m-20 -71.03 123.6 89.61 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.151 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 15.0 Cg_endo -55.16 -50.61 12.51 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.066 2.511 . . . . 0.0 113.033 -173.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -58.47 -28.52 65.42 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.384 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.14 -62.91 4.74 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 45' ' ' LEU . 54.2 t -55.84 -34.36 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 123.674 0.279 . . . . 0.0 111.057 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -62.25 -66.47 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -59.66 -33.07 71.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 110.451 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 115' ' ' SER . 50.6 t80 -61.63 -47.25 86.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.441 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.684 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.8 ttp85 -65.57 -35.89 82.16 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.747 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 7.8 mm-40 -60.21 -46.79 88.52 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.193 0.52 . . . . 0.0 110.593 178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' HE2' ' HG2' ' A' ' 129' ' ' LYS . 44.0 t80 -60.0 -52.88 63.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 37' ' ' SER . 38.8 mt -62.73 -22.87 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.883 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 23.3 ttmm -60.32 -54.75 41.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.222 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -76.35 -37.34 57.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.373 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HG2' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -73.33 -10.88 60.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.905 177.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.9 t80 64.08 75.95 0.37 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-O 122.082 0.944 . . . . 0.0 111.45 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.649 ' HB2' HD22 ' A' ' 32' ' ' LEU . 68.6 m -156.46 22.53 0.35 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.828 -1.533 . . . . 0.0 107.651 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HG12 ' A' ' 41' ' ' VAL . 39.1 tt0 -73.55 -29.98 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.113 -177.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.1 mp0 -55.08 -45.03 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.705 172.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.664 HD21 ' HG3' ' A' ' 111' ' ' MET . 6.4 t30 -54.98 -62.94 1.33 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.25 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.4 p -61.33 -41.92 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.484 -176.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' LEU . 30.3 mt -69.46 -34.36 74.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.386 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -63.33 -41.58 98.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.536 0.208 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HG3' ' A' ' 104' ' ' GLN . 72.5 t90 -65.84 -47.7 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 HG11 ' A' ' 25' ' ' VAL . 50.1 mt -58.67 -43.98 90.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 110.452 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -69.68 -36.84 76.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.113 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.7 t -74.68 -30.43 61.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.222 0.534 . . . . 0.0 110.12 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 15.1 tp10 -63.67 -58.64 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 20.1 t70 -54.15 -37.56 64.56 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.113 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 59' ' ' MET . 35.8 t80 -46.27 -66.98 0.32 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -82.15 -8.11 59.64 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.133 -172.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 30.5 mtpp -66.46 -56.59 10.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.592 0.234 . . . . 0.0 111.111 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -116.24 31.55 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.445 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 59' ' ' MET . 30.1 pt20 -75.39 145.72 41.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.082 0.944 . . . . 0.0 112.284 -174.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.74 162.87 21.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.733 167.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 9.9 tmtt? -51.58 -55.34 19.71 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.004 0.431 . . . . 0.0 110.014 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.3 m -68.85 -51.14 43.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.111 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.27 -47.74 75.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.629 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 11.3 tmm? -59.77 -44.03 94.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.169 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 28.0 mt-30 -58.0 -50.96 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.67 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.29 -42.28 98.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.244 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' HG12 ' A' ' 66' ' ' ILE . 32.2 mmtm -63.9 -32.17 73.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.4 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.34 0.59 . . . . 0.0 110.022 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -78.68 -34.77 45.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.039 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.92 -65.54 0.66 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.993 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.3 pt -62.83 -34.36 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.434 -175.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 71' ' ' LEU . 80.8 t80 -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.272 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 26.7 ttt -76.48 -33.98 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.484 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -91.04 -26.18 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.18 -37.97 3.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 67' ' ' TYR . 3.1 mm? -96.59 -93.34 0.21 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.415 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 42.3 m 50.34 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -174.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 p -68.71 2.33 2.59 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.465 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.72 -11.71 16.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.744 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.37 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.283 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 m 61.0 25.91 15.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.218 0.532 . . . . 0.0 110.655 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -156.05 -61.32 0.1 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.07 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.64 ' HG2' HG12 ' A' ' 79' ' ' VAL . 8.2 tt0 66.81 -86.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.979 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG12 ' HG2' ' A' ' 78' ' ' GLN . 3.5 p -160.16 154.89 4.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.39 81.97 0.15 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 ' HD2' ' A' ' 86' ' ' ARG . 28.7 m -140.7 -172.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 110.967 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -23.89 14.43 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.567 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.25 142.71 19.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -93.16 -87.52 0.23 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -82.63 77.94 9.32 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HB2' HD12 ' A' ' 87' ' ' LEU . 68.6 mtp180 -75.73 -30.76 59.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.607 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.546 HD11 ' HG ' ' A' ' 103' ' ' LEU . 3.9 mp -142.25 124.68 15.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.354 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.639 ' O ' HG22 ' A' ' 91' ' ' ILE . 2.8 m-20 -86.21 144.96 27.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HD23 ' A' ' 92' ' ' LEU . 39.9 mt-10 -54.35 -26.24 28.79 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -33.68 76.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 88' ' ' ASN . 13.7 tt -74.66 -18.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 110.488 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 89' ' ' GLU . 3.7 mm? -77.87 -12.12 59.95 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.294 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.19 -5.54 59.32 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.214 0.531 . . . . 0.0 110.317 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -149.31 69.17 9.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.173 172.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.27 142.67 61.34 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.686 2.257 . . . . 0.0 112.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.16 147.61 62.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 -36.87 55.7 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.892 2.395 . . . . 0.0 112.9 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.09 -1.93 56.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.617 ' SD ' ' CD2' ' A' ' 100' ' ' PHE . 4.4 ppp? -67.69 -38.63 83.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.497 0.189 . . . . 0.0 110.916 -174.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 9.4 m-85 -91.37 -10.17 42.15 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.446 0.165 . . . . 0.0 111.403 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -68.21 -40.65 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.7 -36.82 84.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 110.411 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 87' ' ' LEU . 3.8 mm? -71.03 -30.69 66.96 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.569 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 23.3 tt0 -70.62 -40.94 72.86 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.31 -47.94 80.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.998 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -49.79 70.06 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.983 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 111' ' ' MET . 7.5 tp -61.78 -31.54 51.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.09 -55.48 21.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -65.43 -43.95 88.87 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.444 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.62 -40.81 88.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.501 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 40' ' ' ASN . 34.0 ttm -59.82 -47.97 83.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.747 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 60.9 tttm -51.86 -54.29 30.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.37 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.53 -68.7 0.31 Allowed 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.222 0.534 . . . . 0.0 111.119 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.0 t70 -58.4 -61.44 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.051 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 20.4 m -65.07 -27.23 68.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.3 m-85 -64.42 -52.95 55.54 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.839 173.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 77.3 p -61.91 -26.28 68.08 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 33.8 mmt180 -70.46 -66.09 0.65 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.34 -35.44 69.92 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.787 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.43 -10.11 59.58 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.158 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 117' ' ' SER . 45.7 tptt -75.29 143.96 42.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.1 m 57.04 2.65 0.11 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.855 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 53.31 92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.09 0.556 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 31' ' ' PHE . 32.4 tp -81.74 11.44 4.83 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.583 0.706 . . . . 0.0 110.946 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.429 ' CD1' HG21 ' A' ' 8' ' ' THR . 2.1 m-85 -77.58 -4.52 46.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.4 mm? -123.5 171.95 9.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.409 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -81.85 -1.1 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.094 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 126' ' ' LEU . 55.3 m-70 -63.5 -41.47 98.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.151 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 23.9 tptp -103.04 -26.81 12.92 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.563 0.696 . . . . 0.0 109.278 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 130' ' ' ARG . 16.2 ttt180 -88.73 67.74 8.42 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.997 173.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.1 p -75.58 98.89 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.77 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.63 -42.15 13.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.529 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -90.08 75.65 7.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.095 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.94 160.59 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.116 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.2 -35.53 79.16 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.068 0.461 . . . . 0.0 110.792 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.58 57.88 3.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.383 0.611 . . . . 0.0 109.459 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.31 -48.67 78.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.874 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.415 175.263 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.457 ' HB3' ' SD ' ' A' ' 2' ' ' MET . 20.4 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 1' ' ' SER . 0.9 OUTLIER -116.85 106.7 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 85.85 2.96 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.167 0.508 . . . . 0.0 111.607 -170.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m 58.76 -167.6 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.761 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.5 tp 59.18 -96.67 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.531 0.732 . . . . 0.0 111.273 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -66.58 -38.64 87.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.745 0.783 . . . . 0.0 109.208 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 3.8 m -60.15 -45.8 91.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.613 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 p -69.3 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.57 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.077 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.603 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 22.5 mtpp -54.65 -60.85 2.8 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.044 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.653 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 6.8 m0 -67.27 -31.13 71.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -172.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 125' ' ' PHE . . . -88.64 0.39 56.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.91 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.38 15.95 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 168.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -151.22 135.3 16.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.78 -25.84 61.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.282 0.563 . . . . 0.0 109.878 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.39 -49.32 77.66 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.266 175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.42 -45.27 88.78 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.929 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 8.2 tt -53.77 -49.61 67.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 25' ' ' VAL . 95.1 mt -83.13 0.56 44.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.888 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -95.66 -51.38 4.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.6 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.653 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 22.7 m-20 -81.48 143.84 52.13 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.55 -62.9 0.18 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.817 2.345 . . . . 0.0 112.068 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.81 -21.18 55.78 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.013 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -54.35 33.52 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.422 -0.894 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 19' ' ' LEU . 46.7 t -62.07 -37.41 78.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.406 -0.397 . . . . 0.0 111.276 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -84.08 -45.58 12.88 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -63.71 -33.11 74.92 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.224 0.535 . . . . 0.0 109.585 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 32' ' ' LEU . 48.9 t80 -62.96 -62.61 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 51.0 ttp180 -41.97 -54.54 3.46 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.955 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.01 -39.47 90.27 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HZ ' ' HB2' ' A' ' 122' ' ' SER . 13.2 t80 -61.79 -49.24 77.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -90.28 7.0 40.56 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.506 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 14.7 mtpp -73.04 -36.41 66.92 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 162.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.32 -40.61 64.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.787 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 8.1 tp10 -70.48 -23.82 62.75 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.576 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.5 t80 75.93 79.76 0.1 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.882 0.849 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 15.2 m -154.61 24.9 0.46 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 108.079 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.613 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.5 pt-20 -79.29 -30.55 43.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.866 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -28.93 69.07 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -67.66 -55.19 14.2 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.073 175.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -64.56 -40.93 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.08 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.14 -33.95 76.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.01 -44.94 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.405 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.84 -49.0 76.64 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.77 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 110.193 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.73 -31.97 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.809 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.52 -33.08 54.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' LYS . 39.0 tt0 -66.95 -49.15 66.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' MET . 17.1 t70 -54.2 -47.33 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.478 173.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -50.97 -58.45 6.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 14.2 tmtt? -52.41 -34.17 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.058 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE3' ' HG2' ' A' ' 48' ' ' GLU . 98.8 mttt -83.51 -24.56 31.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -126.37 -1.42 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -172.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 15.8 pt20 -63.12 85.54 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -169.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.85 165.06 24.9 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 164.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 87.0 tttt -54.31 -59.21 4.97 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.76 0.709 . . . . 0.0 111.24 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.7 m -57.02 -47.57 80.56 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.111 0.482 . . . . 0.0 110.841 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -61.61 -52.77 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.2 ttp -53.51 -44.8 69.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.079 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.77 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 26.9 mt-30 -60.95 -62.62 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.115 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.33 -38.23 87.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.424 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 51.6 mttm -80.36 -15.32 57.14 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 100' ' ' PHE . . . -72.77 -48.69 36.2 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -62.89 -35.27 79.49 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 113.083 -1.871 . . . . 0.0 110.183 174.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 27.3 tt0 -63.41 -72.86 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.227 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 62' ' ' LYS . 22.7 pt -57.78 -36.02 53.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.579 -172.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.523 ' HA ' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -63.45 -48.08 79.21 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.359 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.496 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 26.2 ttt -73.47 -32.06 64.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.256 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.2 m -74.97 -37.18 61.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.659 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' HB2' HD22 ' A' ' 71' ' ' LEU . 50.3 m-85 -105.27 -50.81 3.15 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 111.394 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 70' ' ' PHE . 1.9 mm? -91.23 -86.58 0.21 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.577 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 47.1 t 58.03 -171.28 0.1 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.668 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' HH22 ' A' ' 86' ' ' ARG . 31.3 m -105.9 5.34 30.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -140.51 -89.99 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.337 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.59 10.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.176 0.591 . . . . 0.0 112.521 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.4 p 47.11 19.78 0.11 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.596 0.758 . . . . 0.0 111.972 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 m -146.44 -85.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.814 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 66.09 149.01 0.04 OUTLIER 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.864 0.84 . . . . 0.0 112.946 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.18 144.55 32.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 114.635 -1.166 . . . . 0.0 107.992 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -74.72 87.72 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.011 0.434 . . . . 0.0 110.859 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 71' ' ' LEU . 17.2 m -116.63 114.93 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.961 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -125.37 -61.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.519 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.03 -92.18 0.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.592 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -95.97 -31.3 13.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.832 0.349 . . . . 0.0 110.112 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.5 t 175.84 149.01 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.491 HH22 ' HA ' ' A' ' 73' ' ' SER . 44.1 mtp85 -60.57 135.19 57.68 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 6.8 mp -68.78 -3.5 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.755 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -68.36 -5.64 19.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.98 46.96 0.95 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.066 0.46 . . . . 0.0 110.804 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER 52.48 13.85 0.34 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.205 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.7 tt -73.26 -20.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.163 0.506 . . . . 0.0 109.944 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 64' ' ' LYS . 97.7 mt -67.65 -10.27 50.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -80.06 -25.09 40.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.36 70.55 54.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.968 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.77 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 25.5 Cg_exo -62.43 136.43 59.18 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.366 2.044 . . . . 0.0 111.685 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 99' ' ' MET . 92.9 m-70 -99.28 138.81 20.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.32 -38.7 52.81 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 122.557 2.171 . . . . 0.0 113.203 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.17 10.88 40.36 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.1 ptm -67.35 -52.99 33.55 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.461 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 32.9 m-85 -75.18 -12.23 60.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.668 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -81.22 -24.63 37.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.222 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' PHE . 4.6 mm? -63.37 -32.58 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 172.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 101' ' ' GLN . 43.1 mt-30 -61.03 -50.13 74.6 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.81 -53.43 57.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.282 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.57 -53.14 61.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.5 tp -64.3 -36.17 76.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.63 -41.78 97.96 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.428 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -61.6 -54.17 46.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.623 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 107' ' ' ILE . 4.6 pp -71.28 -26.74 63.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 -177.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 40' ' ' ASN . 42.5 ttm -67.26 -46.5 73.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.453 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 87.8 tttt -55.52 -61.4 2.37 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.431 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -47.73 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 12.5 t70 -71.57 -70.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.335 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.0 t -62.53 -32.08 72.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -167.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.75 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 67.8 t80 -79.92 -34.46 38.94 Favored 'General case' 0 CA--C 1.526 0.036 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.4 p -65.77 -31.28 72.17 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.713 173.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 114' ' ' ASP . 29.7 mmt180 -56.29 -52.09 65.78 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.12 -35.87 76.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.866 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 116' ' ' TYR . 9.0 mp -88.43 17.15 5.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.629 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 121' ' ' LYS . 5.3 mmpt? -134.86 145.46 48.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.58 ' HB2' ' HZ ' ' A' ' 31' ' ' PHE . 50.8 m 60.19 26.61 16.04 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -170.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -33.58 130.15 0.28 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.514 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 129' ' ' LYS . 26.3 mt -87.65 13.97 9.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.2 172.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.483 ' HD1' ' N ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -73.49 -12.59 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.715 176.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -114.41 -177.38 3.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.057 -174.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.76 14.86 7.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.633 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.21 -41.21 98.16 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.466 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 130' ' ' ARG . 25.6 tptp -156.91 159.06 37.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 129' ' ' LYS . 0.1 OUTLIER 75.83 -0.97 3.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.569 0.7 . . . . 0.0 110.041 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -170.48 1.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.859 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.23 63.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.398 0.618 . . . . 0.0 109.489 173.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -82.26 -27.4 32.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.656 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.31 85.37 1.44 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.014 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.694 ' HG2' ' H ' ' A' ' 136' ' ' GLU . 23.1 tt0 -83.12 -177.34 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.707 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.694 ' H ' ' HG2' ' A' ' 135' ' ' GLU . 22.8 mt-10 -56.99 -61.74 2.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.131 0.491 . . . . 0.0 109.956 177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.96 106.12 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.534 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.441 ' H2 ' ' CD ' ' A' ' 132' ' ' GLU . 29.6 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.467 0.175 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -138.02 73.99 1.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -91.23 -11.47 38.16 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.644 0.735 . . . . 0.0 109.152 164.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.1 m -126.93 -152.88 0.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.575 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp 68.16 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.378 0.608 . . . . 0.0 110.508 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 7' ' ' SER . 60.1 pttt -70.02 -47.8 60.61 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.076 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.0 m -67.04 -43.37 82.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.624 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 16.7 p -68.96 -29.92 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.03 79.53 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.169 0.509 . . . . 0.0 110.003 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' SER . 30.7 mmmt -58.73 -62.7 1.67 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.947 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 3.7 m0 -67.69 -27.43 66.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.334 -173.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 -1.2 57.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.715 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 -45.43 29.98 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -155.77 144.09 20.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.754 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 18' ' ' LEU . 63.9 tp -57.38 -29.23 63.89 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.469 171.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.87 -54.54 45.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.117 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -55.42 -42.78 74.59 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.423 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 28' ' ' PHE . 19.3 tp -59.84 -47.79 84.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.54 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.18 1.23 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -112.3 -35.33 5.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.39 116.65 66.04 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 76.3 Cg_exo -50.34 -53.92 6.31 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.54 -39.27 61.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.621 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 -52.51 44.64 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' CG1' HD11 ' A' ' 45' ' ' LEU . 97.4 t -53.86 -38.46 36.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.686 0.279 . . . . 0.0 111.555 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -71.3 -51.21 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.912 -178.15 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.93 -42.09 84.09 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.216 0.531 . . . . 0.0 110.435 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . 28.7 t80 -55.83 -42.58 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.845 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.82 -50.43 71.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.527 175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 8.7 mm-40 -55.86 -40.73 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.364 0.415 . . . . 0.0 111.092 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' HE2' ' HB3' ' A' ' 118' ' ' ARG . 86.3 t80 -67.84 -55.35 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.308 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 48.6 mt -62.2 -18.6 61.54 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.296 0.57 . . . . 0.0 110.535 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 34.0 tttm -70.17 -36.49 74.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.079 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.33 -27.31 38.39 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.228 172.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 7.2 tp10 -81.53 0.5 37.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.589 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 61.45 17.43 8.42 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.235 0.54 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 20.1 m -105.11 22.56 15.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.986 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.7 pt-20 -59.45 -36.69 76.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.389 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -55.44 -32.25 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 37' ' ' SER . 5.6 t30 -71.62 -60.22 2.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.205 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.1 p -62.7 -38.42 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 -176.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.93 -36.13 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.04 -47.96 83.96 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.089 0.243 . . . . 0.0 110.748 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.46 -47.83 83.89 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.43 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 25' ' ' VAL . 22.3 mt -59.91 -46.0 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.101 0.476 . . . . 0.0 110.448 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -59.37 -42.67 92.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.684 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.5 m -69.94 -31.79 69.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 111.031 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.45 -54.35 25.1 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.472 0.653 . . . . 0.0 109.27 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 27.5 t70 -67.85 -32.77 73.51 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.309 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 37.3 t80 -50.64 -59.41 4.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.69 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 67.8 tttt -50.89 -53.01 36.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.781 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -54.4 -36.29 63.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.126 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 25.3 ptt? -117.22 8.26 13.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -172.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 29.6 pt20 -64.84 89.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.854 0.835 . . . . 0.0 112.544 -171.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 161.44 27.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.301 165.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -48.99 -58.32 5.09 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.164 0.507 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 25.9 m -62.99 -48.46 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -55.67 -53.18 59.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.129 0.49 . . . . 0.0 110.926 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 ttm -50.2 -49.27 53.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.671 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.694 ' HA ' ' HG2' ' A' ' 95' ' ' PRO . 25.4 mt-30 -62.0 -55.48 28.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.065 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 57' ' ' THR . 49.9 mt-10 -56.24 -50.06 72.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.478 0.656 . . . . 0.0 110.853 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -75.68 -25.4 56.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HA ' ' HE2' ' A' ' 100' ' ' PHE . . . -62.19 -46.4 89.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -61.36 -47.02 87.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.822 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -53.47 -63.58 1.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.761 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 ' HB1' ' A' ' 46' ' ' ALA . 28.9 pt -65.76 -33.8 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.13 -52.62 64.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.746 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.506 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 61.0 mtt -79.74 -15.35 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.925 -171.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -101.56 -28.63 12.42 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.25 -35.66 4.6 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.7 mt -100.45 -88.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 41.2 t 48.32 -90.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.171 0.588 . . . . 0.0 111.833 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 168.68 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -122.5 -76.88 0.59 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.834 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.4 -87.58 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 m -127.1 -19.07 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.177 169.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 78' ' ' GLN . 20.0 p 170.93 -28.21 0.0 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.945 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER 71.71 149.05 0.09 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 111.613 177.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 81' ' ' VAL . 2.5 p -92.33 147.02 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -67.15 88.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 79' ' ' VAL . 15.1 m -102.99 120.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.465 0.65 . . . . 0.0 111.633 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 106' ' ' GLN . 9.6 pt-20 -110.4 -165.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.421 172.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 150.71 163.9 11.6 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.362 -0.923 . . . . 0.0 113.209 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -80.44 -30.68 37.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.281 0.562 . . . . 0.0 109.647 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 m -121.72 90.91 3.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.101 174.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -80.21 172.04 14.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.59 ' HA ' HG21 ' A' ' 91' ' ' ILE . 2.6 mm? -72.84 80.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.877 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER -102.13 111.37 23.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.195 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 29.49 -82.07 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.848 1.259 . . . . 0.0 113.966 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' ASN . 91.9 mttt -54.3 -35.17 62.34 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.351 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' A' ' 87' ' ' LEU . 13.7 tt -66.63 -22.52 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.664 0.269 . . . . 0.0 111.09 -176.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 87' ' ' LEU . 1.9 mm? -93.58 -40.92 10.03 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.48 -23.43 65.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.043 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 pt-20 -146.89 89.95 5.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 19.7 Cg_exo -66.7 137.46 45.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.729 2.286 . . . . 0.0 112.02 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.488 ' H ' ' HG2' ' A' ' 99' ' ' MET . 68.0 m-70 -111.66 147.66 37.24 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.75 -20.38 42.88 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.982 2.455 . . . . 0.0 113.61 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -118.34 11.71 13.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.389 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.488 ' HG2' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -76.15 -41.0 51.29 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.162 -175.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.471 ' HE2' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -77.74 -8.45 57.98 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.14 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -67.29 -31.94 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.739 0.304 . . . . 0.0 110.415 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -70.22 -41.84 73.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.53 -36.93 79.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.951 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.424 ' HA ' HG22 ' A' ' 107' ' ' ILE . 61.3 tt0 -67.33 -32.86 74.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.62 -47.01 57.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.506 0.669 . . . . 0.0 110.178 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -58.94 -56.14 26.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.38 178.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 111' ' ' MET . 10.4 tp -62.17 -25.01 36.39 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.598 -178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.5 -42.13 91.46 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.545 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 43.8 m-80 -76.9 -47.16 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.924 178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.03 -52.21 66.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.324 0.583 . . . . 0.0 110.265 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.6 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 8.6 tmm? -68.61 -33.35 73.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 26.6 ttpp -53.95 -61.96 1.96 Allowed 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -55.81 -67.75 0.26 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.01 0.433 . . . . 0.0 110.934 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 13.2 t70 -65.26 -61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.828 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.6 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 20.9 m -68.49 -38.48 81.01 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 46.3 t80 -64.07 -36.98 85.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -62.25 -47.23 85.31 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.74 ' HB3' ' HE2' ' A' ' 31' ' ' PHE . 28.3 mmt180 -48.85 -51.05 31.79 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.406 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.23 -49.01 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.34 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.62 -14.89 62.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -88.36 -71.6 0.58 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.945 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 15.7 m -120.37 27.84 8.36 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -168.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.532 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 6.1 t70 -59.29 172.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.726 0.298 . . . . 0.0 110.454 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.52 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.8 mm? -74.47 45.06 0.22 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.531 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 123' ' ' ASP . 75.0 m-85 -67.94 -29.57 68.67 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.1 mm? -96.65 137.46 35.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.627 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -81.12 -21.57 39.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -84.82 -6.14 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 109.737 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 126' ' ' LEU . 49.3 tptt -84.72 -46.89 10.99 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 170.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.507 ' NH2' ' HG2' ' A' ' 134' ' ' GLU . 62.7 ttt-85 -159.39 111.69 2.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.845 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 133' ' ' GLU . 28.1 m -68.04 149.6 49.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 37.7 tt0 -55.9 -41.3 74.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 131' ' ' THR . 16.0 mt-10 -72.26 98.17 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 166.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.507 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 29.8 mt-10 -46.35 141.62 3.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -165.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -49.29 128.16 16.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.688 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.48 17.94 0.35 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.811 0.339 . . . . 0.0 111.325 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.19 -16.8 64.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.723 179.301 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.8 tpp -61.42 106.3 0.62 Allowed 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.584 HE21 ' HB3' ' A' ' 23' ' ' GLU . 43.9 tt0 -68.09 87.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.515 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.469 ' HA ' HG23 ' A' ' 8' ' ' THR . 28.1 t 178.24 -170.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.089 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp 54.68 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.653 0.781 . . . . 0.0 111.98 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' SER . 66.4 mttm -62.33 -55.3 29.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.875 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 20.1 m -63.85 -40.8 97.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.0 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 4' ' ' SER . 16.9 p -69.66 -33.38 72.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.808 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.92 91.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.021 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mmtt -55.24 -55.97 25.29 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.481 0.658 . . . . 0.0 111.157 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 7.2 m0 -72.47 -21.95 61.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.522 -173.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HE1' ' A' ' 116' ' ' TYR . . . -99.99 8.0 44.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.71 0.29 . . . . 0.0 110.547 174.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.79 -45.01 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 m -150.84 134.16 16.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.1 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB2' ' HE2' ' A' ' 116' ' ' TYR . 42.3 tp -58.96 -26.73 64.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.922 178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.2 -50.58 73.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.994 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -57.43 -47.11 82.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.119 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 6.2 tt -53.38 -49.79 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.222 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 90.0 mt -83.87 -1.69 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.686 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -94.42 -55.92 2.99 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.837 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.643 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 43.0 m-20 -77.84 123.22 86.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.197 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.4 Cg_endo -53.99 -37.04 85.95 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.678 2.252 . . . . 0.0 111.278 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB3' HE21 ' A' ' 3' ' ' GLN . 52.4 mm-40 -56.07 -44.43 78.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -49.48 39.77 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.592 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 19' ' ' LEU . 59.2 t -55.08 -43.37 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 19.1 mmtp -77.25 -44.23 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.825 -173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' A' ' 3' ' ' GLN . 20.1 mtp180 -63.76 -36.13 82.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.125 0.488 . . . . 0.0 110.008 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -67.35 -35.91 80.35 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.975 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 41' ' ' VAL . 78.1 ttt180 -64.4 -45.95 85.42 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 43.7 mm-40 -52.22 -45.1 65.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 110.002 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 81.8 t80 -55.45 -53.94 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.26 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 37' ' ' SER . 37.7 mt -72.82 -19.0 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.769 -176.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 52.0 mtpt -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' HE2' ' HA ' ' A' ' 133' ' ' GLU . 83.5 mttt -81.41 -24.14 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.097 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 75.4 mm-40 -88.8 -3.17 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.223 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 65.59 15.13 9.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.985 0.514 . . . . 0.0 111.618 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.624 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.9 t -106.07 22.34 15.84 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.545 0.688 . . . . 0.0 110.309 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.571 ' HA ' HG12 ' A' ' 41' ' ' VAL . 9.5 pt-20 -62.63 -22.68 66.61 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.18 -36.97 73.84 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.9 t30 -63.54 -61.27 2.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.591 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 38' ' ' GLU . 7.1 p -60.11 -37.87 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.241 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 42' ' ' LEU . 41.2 mt -72.98 -33.76 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.489 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.83 -42.4 98.99 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 110.234 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -65.94 -48.63 70.7 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 39.8 mt -60.79 -39.96 90.84 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.611 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.21 80.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.532 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 37.8 t -69.76 -31.65 69.72 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.298 0.57 . . . . 0.0 109.649 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' HA ' ' NZ ' ' A' ' 51' ' ' LYS . 15.1 mm-40 -57.37 -65.78 0.57 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.62 171.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 52' ' ' LYS . 14.5 m-20 -55.64 -34.1 64.65 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.8 -45.55 63.9 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.452 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 pptp? -116.33 17.7 15.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.924 0.392 . . . . 0.0 111.597 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 ttmm -100.85 -33.1 10.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.686 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 26.6 ptt? -140.86 178.08 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 91.7 mt-30 69.14 162.8 0.22 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 112.029 176.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.26 -173.11 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 14.5 mmmm -49.53 -58.36 5.35 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.5 p -56.84 -53.22 60.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -174.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.34 -44.3 97.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.156 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' ' 97' ' ' PRO . 46.1 ttp -53.91 -44.09 70.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.8 175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.68 -39.61 93.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.286 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -58.81 -34.29 71.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.286 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 66' ' ' ILE . 47.4 mttm -82.16 -14.56 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.423 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -56.8 10.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 43.2 pttt -61.33 -35.04 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.372 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 62' ' ' LYS . 28.3 tt0 -56.85 -71.47 0.09 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.947 178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 62' ' ' LYS . 29.7 pt -61.99 -31.91 52.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 88.7 t80 -60.18 -56.18 24.72 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.199 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.6 tpt -71.78 -31.1 66.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -80.67 -43.76 19.87 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -105.2 -29.61 10.23 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 85.7 mt -108.38 -88.73 0.47 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.975 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' TYR . 34.2 t 57.49 -169.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.541 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -109.07 13.54 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 77.3 tttt -172.72 -78.0 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.59 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 52.8 -81.81 0.01 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 -172.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LYS . 67.2 m -137.8 -36.74 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.265 172.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 78' ' ' GLN . 68.6 m -169.74 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -176.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' SER . 5.7 tt0 76.78 145.48 0.09 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.411 0.684 . . . . 0.0 110.834 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.12 143.3 13.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -76.42 73.22 3.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 HD13 ' A' ' 107' ' ' ILE . 24.5 m -88.92 -39.92 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.805 0.812 . . . . 0.0 109.819 172.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -160.6 -43.54 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.139 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 127.65 -19.03 5.94 Favored Glycine 0 C--N 1.331 0.253 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -173.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.86 144.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.747 -0.726 . . . . 0.0 109.07 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.3 m -81.98 135.13 35.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.64 -10.8 55.44 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.187 0.517 . . . . 0.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.5 mm? -76.11 76.56 2.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.134 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -109.97 -165.92 1.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.456 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 64.62 16.78 10.54 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.242 0.339 . . . . 0.0 110.926 175.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 47.3 mtmt 57.69 31.57 20.6 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.83 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -61.63 -21.61 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.15 -23.37 66.54 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.857 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 19.6 mm-40 -62.03 -31.04 71.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -139.22 91.0 11.45 Favored Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.073 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.79 142.18 31.58 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.628 2.219 . . . . 0.0 112.751 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -125.72 156.48 70.98 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.722 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 19.0 Cg_endo -56.73 -30.94 86.33 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.731 2.287 . . . . 0.0 113.083 -174.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 86.6 mt -95.21 0.49 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.846 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 100' ' ' PHE . 1.7 ppp? -68.56 -26.54 65.46 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 99' ' ' MET . 59.9 m-85 -106.81 11.4 30.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.762 0.315 . . . . 0.0 111.039 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.1 tp-100 -72.07 -53.34 13.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.957 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.18 -20.55 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.968 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -42.96 92.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 21.8 tt0 -61.73 -46.72 88.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.477 0.656 . . . . 0.0 109.59 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.038 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -51.17 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.688 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.5 tp -62.59 -27.88 43.72 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.06 -42.87 96.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.118 0.485 . . . . 0.0 109.779 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -63.71 -52.49 60.32 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? -61.96 -35.11 77.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.068 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 38.1 ttm -59.12 -46.06 89.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.53 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 116' ' ' TYR . 86.5 tttt -54.82 -56.41 19.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.569 175.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -55.59 -75.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.38 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.82 -60.82 2.49 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.431 -174.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 111' ' ' MET . 19.6 m -59.43 -31.09 68.96 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.696 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 1.5 m-85 -72.53 -56.26 5.66 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.731 176.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.8 p -62.96 -19.8 64.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -86.9 -50.86 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.598 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.29 -36.92 85.68 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.397 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -83.77 -1.83 55.05 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.5 -49.19 8.84 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.719 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 16.2 m -106.37 79.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.196 174.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.07 113.01 2.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.186 -175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 31' ' ' PHE . 28.7 mt -82.19 15.98 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 109.911 173.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 1.4 m-30 -70.73 -16.43 62.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.464 0.649 . . . . 0.0 109.35 178.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -101.36 -171.22 1.95 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.16 -176.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 130' ' ' ARG . 54.7 pttt -84.61 -12.28 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.975 0.417 . . . . 0.0 110.262 173.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -65.97 124.71 23.27 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 66.8 mttm 67.44 5.41 4.29 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 123.482 0.488 . . . . 0.0 111.426 -177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 130' ' ' ARG . 66.1 ttt180 -106.62 -2.6 21.61 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.3 p -50.98 -59.34 4.25 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 133' ' ' GLU . 7.3 pt-20 -170.73 -86.27 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.229 170.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 132' ' ' GLU . 40.2 mt-10 -133.52 154.2 51.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.61 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 11.5 mm-40 -82.24 69.08 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.181 0.515 . . . . 0.0 110.098 -174.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 62.65 105.08 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.541 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.81 87.43 1.29 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.83 134.01 52.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.019 -171.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.451 176.424 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.458 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 85.7 mtp -68.93 115.66 8.5 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.735 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 84.7 mm-40 -70.69 -15.04 62.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.61 -175.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 m -114.29 30.99 6.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 2' ' ' MET . 47.2 tp -152.53 -76.8 0.12 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.848 0.832 . . . . 0.0 110.759 177.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -80.22 -41.29 25.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.0 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 3' ' ' GLN . 14.6 m -67.95 -37.63 81.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.693 ' HB ' ' HE1' ' A' ' 125' ' ' PHE . 3.2 p -62.65 -39.0 92.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.911 0.386 . . . . 0.0 110.113 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.98 69.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.737 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 7' ' ' SER . 97.8 mttt -61.76 -55.96 24.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.736 0.779 . . . . 0.0 110.461 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HE1' ' HB2' ' A' ' 21' ' ' ASP . 5.5 m0 -72.36 -25.65 61.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.774 -173.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.08 -1.96 58.33 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.39 19.59 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 168.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.2 t -155.13 145.87 22.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.187 0.517 . . . . 0.0 111.601 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 18' ' ' LEU . 57.1 tp -62.18 -27.71 69.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.224 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.52 -51.3 70.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.145 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.24 -45.81 87.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.046 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' PHE . 21.7 tp -52.1 -46.32 65.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.519 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -86.7 -4.84 59.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.377 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.86 -52.52 4.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 68.5 m-20 -81.18 128.59 70.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.924 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.87 -40.62 84.4 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.551 2.167 . . . . 0.0 111.247 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -58.67 -34.4 71.2 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.068 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.47 -57.65 7.2 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.27 -32.18 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.305 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -51.32 69.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.459 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 72.0 mtt85 -73.68 -26.51 60.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.773 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.724 ' HB2' HD11 ' A' ' 18' ' ' LEU . 12.7 t80 -67.38 -47.25 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.207 0.527 . . . . 0.0 109.806 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 64.9 ttt180 -65.48 -36.37 83.66 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.973 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.5 tp10 -63.34 -49.13 75.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.794 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.67 -52.03 66.85 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 37' ' ' SER . 40.1 mt -66.33 -19.5 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.864 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 30' ' ' GLU . 24.9 ttmm -66.76 -44.17 82.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -66.55 -33.82 76.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.206 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.78 -12.6 55.46 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.33 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 66.95 29.63 8.04 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.847 0.832 . . . . 0.0 110.191 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' HD22 ' A' ' 32' ' ' LEU . 19.3 m -103.31 17.73 23.42 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.939 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' A' ' 41' ' ' VAL . 43.0 tt0 -61.39 -29.63 70.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.844 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -47.21 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.514 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' ILE . 2.4 p-10 -76.16 -42.55 46.19 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.672 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 38' ' ' GLU . 9.2 p -66.49 -43.35 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.817 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.37 -39.39 89.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.53 -43.97 76.27 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.279 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.63 -43.81 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.095 0.474 . . . . 0.0 110.132 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -32.16 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.948 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 36.3 t -77.77 -32.92 52.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 tp10 -67.87 -50.28 57.29 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.25 -48.21 76.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.191 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HD2' ' HD2' ' A' ' 62' ' ' LYS . 57.5 t80 -47.56 -57.68 5.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.177 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 42.1 tttt -57.07 -50.74 71.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.406 -1.27 . . . . 0.0 112.535 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 29.1 mtpp -64.95 -42.33 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -168.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -122.93 35.33 4.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.934 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.54 115.97 17.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 112.33 -177.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.89 158.94 15.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 160.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 61.7 tttm -53.27 -55.59 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.98 0.809 . . . . 0.0 111.178 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.6 p -56.06 -53.86 51.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.789 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -53.95 -52.64 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.106 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttp -58.74 -34.83 71.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.108 -174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.9 mt-30 -66.01 -51.41 58.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.33 -42.59 98.99 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.107 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD2' ' HD2' ' A' ' 50' ' ' PHE . 2.8 tmtm? -69.0 -28.54 66.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.099 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 -58.31 7.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.511 0.672 . . . . 0.0 110.346 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.14 69.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.611 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.0 -63.73 1.2 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.171 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' LYS . 19.6 pt -60.95 -33.85 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.878 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.458 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 57.0 t80 -60.65 -52.5 64.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.491 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 27.0 ttt -66.76 -18.0 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.419 -174.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -96.71 -41.69 8.37 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -116.76 -24.57 7.65 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 87' ' ' LEU . 73.6 mt -120.58 3.66 10.68 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -169.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 62.1 m -54.18 149.51 9.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.632 176.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -66.1 -8.89 26.36 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.366 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -127.32 -91.28 0.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.52 -89.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.104 0.561 . . . . 0.0 111.785 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -160.6 45.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m 72.25 107.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.845 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 72' ' ' SER . 11.4 pt20 -64.98 160.1 21.54 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.26 0.552 . . . . 0.0 111.028 -176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.92 141.99 17.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.494 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -77.95 67.16 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.176 0.512 . . . . 0.0 110.36 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 m -93.1 110.84 23.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.972 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 86' ' ' ARG . 33.7 mt-10 -142.56 165.85 26.27 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.052 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 106' ' ' GLN . . . 150.96 -100.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -71.87 -58.06 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.7 m -156.28 161.91 40.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.593 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 82' ' ' GLU . 56.8 mtp85 -106.56 -158.14 0.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 71' ' ' LEU . 3.1 mm? -75.2 72.36 2.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.942 0.877 . . . . 0.0 109.852 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -125.45 -163.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.114 -1.403 . . . . 0.0 107.612 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.4 21.66 10.04 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.092 0.405 . . . . 0.0 110.53 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 47.88 40.02 11.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 92' ' ' LEU . 10.9 tt -55.47 -25.01 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.773 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 91' ' ' ILE . 2.5 mm? -77.84 -50.27 12.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.691 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.21 -24.81 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.272 -176.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.28 91.92 49.05 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.617 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 20.7 Cg_exo -66.41 148.71 84.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.981 2.454 . . . . 0.0 111.867 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 31.2 m170 -131.19 149.95 75.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.43 -27.95 51.72 Favored 'Trans proline' 0 N--CA 1.479 0.672 0 C-N-CA 122.98 2.453 . . . . 0.0 113.159 -174.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 101' ' ' GLN . 80.5 mt -109.7 -55.67 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.082 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.523 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 22.4 ptm 42.11 -73.08 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.967 1.307 . . . . 0.0 114.032 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.51 ' HA ' HD23 ' A' ' 103' ' ' LEU . 34.6 m-85 -86.55 -3.78 59.07 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.872 -0.517 . . . . 0.0 111.286 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 98' ' ' LEU . 27.4 mm-40 -62.01 -33.53 74.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.248 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.75 -54.55 44.98 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.2 mm? -62.04 -29.74 70.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.055 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.737 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 60.8 tt0 -68.98 -51.2 41.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.445 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.54 -36.74 81.43 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.403 0.62 . . . . 0.0 110.065 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 27.4 mt-30 -66.92 -47.92 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.317 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.9 tp -71.76 -22.33 21.58 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.323 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -66.14 -44.68 83.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -64.73 -49.78 69.5 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.058 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.25 -36.32 77.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.932 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 24.0 ttm -60.58 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.401 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 85.7 tttt -54.56 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.163 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -52.81 -72.11 0.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 21.9 t70 -71.97 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.216 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 111' ' ' MET . 32.2 m -68.75 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 64.6 t80 -73.87 -29.25 61.99 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 t -59.17 -41.29 88.06 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 114' ' ' ASP . 38.0 mtt180 -69.97 -43.21 71.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.325 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.47 -32.77 69.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.917 0.389 . . . . 0.0 111.474 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 116' ' ' TYR . 55.6 mt -87.4 7.96 26.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.09 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -140.0 138.88 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.53 -171.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.549 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 12.7 p 44.71 31.18 0.61 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.079 0.552 . . . . 0.0 112.133 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.505 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 31.3 t70 -83.73 179.13 7.67 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 81.1 mt -65.6 3.09 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.693 ' HE1' ' HB ' ' A' ' 8' ' ' THR . 37.3 m-85 -53.39 -26.11 18.28 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.652 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.7 mm? -87.24 126.37 34.78 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 131' ' ' THR . 62.4 mttm -75.9 -10.18 59.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.91 -13.87 61.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.093 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 122' ' ' SER . 68.3 mttm -93.55 -47.73 6.7 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.733 HH12 ' HB2' ' A' ' 134' ' ' GLU . 1.4 tpm_? -144.01 105.6 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.513 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 127' ' ' LYS . 16.8 p -50.74 -65.28 0.58 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.633 -178.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -145.57 175.0 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.158 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.12 79.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.881 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.733 ' HB2' HH12 ' A' ' 130' ' ' ARG . 85.5 mt-10 -100.11 75.95 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.115 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.04 -30.18 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.54 0.686 . . . . 0.0 109.513 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -32.43 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.181 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 134' ' ' GLU . 34.8 t70 -77.62 107.3 9.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.522 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.638 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.426 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 26.7 ttt -156.32 107.63 2.46 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.643 0.259 . . . . 0.0 111.673 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 2' ' ' MET . 29.9 pt20 175.34 -24.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.044 173.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 8' ' ' THR . 17.5 m -145.51 -178.1 5.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.554 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 tp 56.1 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.205 0.602 . . . . 0.0 111.605 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -67.83 -50.16 58.23 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.365 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 18.2 m -64.86 -40.93 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.054 -177.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 4' ' ' SER . 8.3 p -70.32 -32.33 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.894 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.76 73.37 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.997 0.427 . . . . 0.0 110.184 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 7' ' ' SER . 37.3 mmtm -63.05 -60.0 4.04 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.78 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE1' ' HB3' ' A' ' 21' ' ' ASP . 6.4 m0 -66.99 -26.06 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.073 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 -2.63 56.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.748 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 17' ' ' ASN . . . -73.84 -49.25 26.01 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 170.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -155.58 146.66 22.49 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.353 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.52 -26.37 67.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.593 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -55.32 -54.76 39.48 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.839 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 13' ' ' ALA . 83.3 m-20 -58.41 -45.58 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.669 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' TRP . 7.3 tt -54.32 -50.52 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.391 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.5 0.68 45.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.525 -177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -100.27 -38.15 8.6 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.023 0.439 . . . . 0.0 110.292 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 11' ' ' TRP . 12.7 t70 -99.17 119.22 61.16 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.882 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 Cg_endo -45.21 -49.75 9.76 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.397 2.731 . . . . 0.0 113.262 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.56 -35.52 70.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.59 73.23 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.49 -35.1 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.778 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 17.8 mmtp -76.01 -44.25 40.34 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 27' ' ' ARG . 30.7 mtt-85 -65.67 -35.32 80.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.255 0.55 . . . . 0.0 110.009 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.15 -35.35 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.216 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' HD11 ' A' ' 42' ' ' LEU . 41.2 ttt180 -68.34 -46.6 69.71 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.31 -29.8 70.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.55 -55.78 21.14 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.746 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 41' ' ' VAL . 41.7 mt -65.07 -19.9 66.22 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.951 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -67.79 -39.31 84.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.06 0.457 . . . . 0.0 109.909 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -68.86 -31.81 71.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -88.37 -13.65 40.11 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.905 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 62.01 72.55 0.5 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.796 0.808 . . . . 0.0 110.087 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 23.2 t -149.96 27.29 0.79 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.21 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 41' ' ' VAL . 42.8 mt-10 -67.6 -31.55 71.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.716 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -59.84 -32.9 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.157 0.503 . . . . 0.0 109.765 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' ' O ' ' A' ' 37' ' ' SER . 10.3 t30 -64.25 -63.75 1.06 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.579 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.3 p -59.86 -45.16 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' NH2' ' A' ' 29' ' ' ARG . 62.2 mt -64.61 -30.33 71.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.396 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -65.07 -41.37 95.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -64.71 -52.45 57.07 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.6 mm? -55.44 -43.95 75.86 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.92 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.164 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 104' ' ' GLN . 49.4 t -66.72 -35.85 81.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.093 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.703 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 12.5 tp10 -67.31 -44.53 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.673 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.83 -38.05 89.22 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.38 0.61 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.04 -35.85 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.92 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -71.66 -36.06 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.405 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.703 ' HE2' ' HG3' ' A' ' 48' ' ' GLU . 66.2 mmtt -68.22 -62.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.657 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 22.8 ptt? -121.48 -160.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -171.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.657 ' HG2' ' HG3' ' A' ' 53' ' ' MET . 25.8 mm-40 76.52 112.7 0.07 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.692 0.797 . . . . 0.0 110.96 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -108.2 141.85 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.633 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 32.7 mmmt 21.67 -83.45 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.858 1.263 . . . . 0.0 113.894 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.9 m -51.69 -56.87 11.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.933 0.396 . . . . 0.0 110.932 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 54' ' ' GLN . 16.5 mm100 -61.75 -50.32 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.483 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 42.2 ttp -53.57 -42.49 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.482 -175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 48.5 mt-30 -65.74 -47.91 73.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.728 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 27.3 mm-40 -63.35 -37.05 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' HG12 ' A' ' 66' ' ' ILE . 72.9 mmtt -71.17 -30.27 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.24 97.65 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.679 0.752 . . . . 0.0 109.288 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 77.9 mttt -67.46 -42.12 83.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.067 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.09 -63.91 1.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.309 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 62' ' ' LYS . 24.5 pt -64.87 -38.97 84.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.59 -175.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -59.92 -48.43 81.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.719 0.295 . . . . 0.0 110.521 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.592 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 16.9 tpt -71.23 -39.2 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.281 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -76.74 -35.64 57.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.9 -21.55 13.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.8 mt -132.91 -89.08 0.42 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 111.631 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 68' ' ' MET . 21.5 t 54.87 -86.74 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' LYS . 74.5 m -168.72 5.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.655 0.782 . . . . 0.0 109.119 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' SER . 93.1 mttt -162.23 -80.08 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -168.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 56.51 -79.26 0.01 OUTLIER 'General case' 0 C--N 1.344 0.328 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.482 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LYS . 41.6 m -157.98 -34.45 0.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.481 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 t -179.39 82.42 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -61.52 123.26 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 81' ' ' VAL . 6.1 p -70.04 146.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.317 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -77.44 75.94 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.772 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 79' ' ' VAL . 6.9 m -89.14 81.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.472 0.653 . . . . 0.0 110.617 176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -82.81 157.68 23.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.845 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.4 178.12 23.26 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.869 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.2 -29.15 34.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 109.967 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.439 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . 64.7 m -97.66 118.98 35.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.815 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 103' ' ' LEU . 22.7 ttt85 -143.37 175.16 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.4 mm? -76.57 74.5 3.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.483 0.659 . . . . 0.0 110.484 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -132.19 -170.79 2.48 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.778 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 59.95 30.89 20.38 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.224 0.327 . . . . 0.0 110.498 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 93.9 mttt 46.27 49.71 12.63 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.731 0.777 . . . . 0.0 110.742 -176.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 99' ' ' MET . 18.5 tt -65.71 -23.08 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.797 -174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 91' ' ' ILE . 10.5 mp -74.78 -21.97 59.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.556 0.217 . . . . 0.0 111.123 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.429 ' HG3' ' HB3' ' A' ' 90' ' ' LYS . 20.6 mm-40 -66.18 -18.93 65.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.032 0.444 . . . . 0.0 110.563 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -144.55 83.43 9.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.473 ' HG2' ' HG2' ' A' ' 60' ' ' GLN . 16.6 Cg_exo -68.4 136.95 38.37 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.659 2.24 . . . . 0.0 112.597 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.647 ' HB2' ' HB3' ' A' ' 99' ' ' MET . 72.4 m-70 -128.52 143.33 47.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.691 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 23.9 Cg_endo -61.01 -27.91 85.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.031 1.82 . . . . 0.0 111.097 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 61.0 mt -88.63 -15.02 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.448 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.647 ' HB3' ' HB2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -67.59 -29.29 68.6 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -176.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.3 m-85 -84.75 -22.06 29.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.719 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 98' ' ' LEU . 28.7 mm-40 -62.12 -33.83 75.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -59.42 -48.53 81.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.219 0.533 . . . . 0.0 109.698 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -69.14 -31.92 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.645 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.688 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 61.6 tt0 -68.87 -39.41 79.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.18 -46.35 84.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.697 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 85' ' ' SER . 28.1 mt-30 -63.16 -50.17 71.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.274 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 104' ' ' GLN . 11.0 tp -64.67 -37.43 80.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.287 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -56.15 -43.3 78.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 109.842 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.97 -56.11 7.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.334 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 107' ' ' ILE . 3.3 pp -68.97 -35.9 77.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.614 0.245 . . . . 0.0 110.934 -174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 12.9 tmm? -72.24 -32.2 66.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.417 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 88.1 tttt -55.45 -57.31 12.39 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 117' ' ' SER . 40.9 t80 -57.29 -67.04 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.209 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.68 -72.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.704 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.0 m -76.25 -44.99 34.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.458 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.628 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 54.7 t80 -74.9 -42.91 56.89 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.163 -172.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 113' ' ' TYR . 14.3 m -71.75 -34.4 69.47 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.105 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -73.24 -29.81 63.04 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.36 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -56.73 -43.06 80.3 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.91 -41.58 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.475 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -56.27 -52.72 63.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 177.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.3 m -65.76 -34.07 77.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.282 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' HB3' ' NE ' ' A' ' 130' ' ' ARG . 38.0 t70 63.18 89.93 0.08 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.662 0.744 . . . . 0.0 110.629 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -101.08 23.2 11.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.535 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 125' ' ' PHE . 4.4 m-30 -78.25 21.85 0.34 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.655 -174.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.3 mm? -115.15 -165.49 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -81.05 -38.44 27.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.678 0.751 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 38.6 m80 -125.5 155.77 40.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.336 171.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' HB3' HD23 ' A' ' 124' ' ' LEU . 17.7 ptmt -65.14 139.68 58.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.2 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' NE ' ' HB3' ' A' ' 123' ' ' ASP . 37.9 mtm180 -52.13 135.59 31.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.995 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -62.36 113.07 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.085 0.469 . . . . 0.0 111.425 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -119.09 -165.0 1.09 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.18 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -107.89 101.35 10.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.518 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -72.57 -12.21 60.97 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.384 0.611 . . . . 0.0 109.512 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -84.81 155.5 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.263 171.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.17 130.31 46.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 0.0 110.65 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.34 117.7 4.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.746 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.247 -178.189 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.876 0.369 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -138.1 142.16 40.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -126.77 141.17 51.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.948 0.404 . . . . 0.0 110.362 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 8' ' ' THR . 23.9 t 67.24 -178.88 0.21 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.333 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp 47.47 -94.39 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.946 0.898 . . . . 0.0 112.465 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.78 -44.6 96.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.573 0.702 . . . . 0.0 110.195 -177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 13.6 m -66.32 -41.48 89.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.759 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 4' ' ' SER . 71.9 p -71.83 -30.96 66.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.324 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.82 78.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.55 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 7' ' ' SER . 53.4 mttp -57.05 -68.95 0.18 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.854 0.835 . . . . 0.0 110.431 175.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.517 ' HH2' HH11 ' A' ' 27' ' ' ARG . 1.7 m0 -66.77 -38.52 86.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.288 -169.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.03 -3.83 53.12 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.939 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.54 -45.92 28.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 166.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -158.82 140.43 13.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.198 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 112' ' ' LYS . 51.8 tp -54.72 -31.44 58.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.147 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.3 -44.38 95.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.19 -43.14 96.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.15 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 15' ' ' LEU . 14.8 tp -58.13 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.13 0.49 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.979 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -106.47 -49.18 3.39 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 175.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.23 124.4 88.86 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.966 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.63 -42.99 59.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.922 2.414 . . . . 0.0 112.419 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 43.1 mt-10 -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.54 -57.69 13.91 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.106 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 45' ' ' LEU . 55.7 t -54.93 -35.03 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.721 0.296 . . . . 0.0 111.362 -177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.87 -42.03 16.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.959 -175.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 67.0 mtt180 -65.97 -30.02 70.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.386 0.612 . . . . 0.0 109.75 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 18' ' ' LEU . 32.9 t80 -71.48 -37.81 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.619 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.84 -40.29 94.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.94 174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 17.5 mm-40 -61.8 -40.65 95.98 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.092 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' HE1' ' HB2' ' A' ' 122' ' ' SER . 82.8 t80 -55.63 -60.86 2.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.482 0.658 . . . . 0.0 109.944 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HB ' ' A' ' 41' ' ' VAL . 67.1 mt -66.88 -16.53 64.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.246 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.79 -45.03 62.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.188 0.518 . . . . 0.0 109.764 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.12 -25.71 42.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.457 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.75 -14.74 50.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.023 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 t80 67.88 73.28 0.31 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.839 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -158.52 33.55 0.23 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.749 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.708 ' HA ' HG12 ' A' ' 41' ' ' VAL . 11.9 pt-20 -66.41 -19.01 65.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.751 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.6 mp0 -53.65 -45.73 70.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.091 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -66.62 -55.72 14.02 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.076 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 38' ' ' GLU . 14.9 p -61.93 -41.44 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.063 -176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.6 mt -69.22 -32.36 71.57 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.855 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' ' HB3' ' A' ' 103' ' ' LEU . 54.0 t80 -57.97 -51.43 69.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.771 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.78 -46.61 88.79 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 25' ' ' VAL . 21.3 mt -59.01 -36.53 75.08 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.764 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.17 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.41 -41.63 66.02 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.294 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.65 -53.18 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.993 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -52.93 -51.21 62.12 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.899 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -97.45 -5.57 35.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.789 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -73.17 -37.18 66.62 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.09 0.472 . . . . 0.0 109.9 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 23.1 ptt? -139.97 -140.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.362 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' A' ' 58' ' ' GLN . 2.7 mp0 74.72 116.19 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.9 0.48 . . . . 0.0 111.654 177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.9 -177.62 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 13.8 tmtt? -57.68 -41.83 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.506 0.193 . . . . 0.0 111.082 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -66.56 -57.67 6.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.485 0.183 . . . . 0.0 111.319 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' A' ' 54' ' ' GLN . 13.3 mm100 -55.31 -43.24 74.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 97' ' ' PRO . 33.8 ttp -52.51 -41.02 63.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG2' ' HG2' ' A' ' 95' ' ' PRO . 24.7 mt-30 -60.36 -55.71 30.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.704 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 41.4 mm-40 -69.23 -22.65 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.45 -175.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -81.76 -24.4 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.598 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.73 -54.1 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.58 0.705 . . . . 0.0 109.729 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 61' ' ' GLU . 17.9 ptmt -64.2 -35.15 79.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.835 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 35.1 tt0 -61.46 -58.99 5.97 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -63.0 -28.97 46.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.246 0.545 . . . . 0.0 110.773 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.756 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 20.1 t80 -60.77 -56.79 17.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.268 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.427 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 66.5 mtt -69.31 -24.73 63.98 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.055 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 p -85.42 -36.82 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -126.75 -54.52 1.42 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 112.089 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.756 ' HB2' ' HA ' ' A' ' 67' ' ' TYR . 69.4 mt -74.84 4.27 6.72 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -166.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 68' ' ' MET . 49.6 m -66.58 -12.74 59.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.677 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t 61.5 21.37 12.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 109.796 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -140.17 -76.71 0.32 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.92 -152.42 0.12 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.909 0.756 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -72.26 -24.68 61.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -172.31 163.63 5.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.422 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -124.03 142.62 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.905 0.384 . . . . 0.0 110.093 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 81' ' ' VAL . 1.8 p -102.88 146.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.514 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -67.91 93.3 0.4 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.482 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 79' ' ' VAL . 35.2 m -113.97 -179.67 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -100.74 108.73 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.154 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.68 72.91 1.71 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.272 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -69.25 -76.16 0.1 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 110.062 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -86.21 89.21 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.558 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.03 118.81 8.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.132 0.492 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.848 ' HA ' HG21 ' A' ' 91' ' ' ILE . 4.6 mp -81.39 92.81 6.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.875 -171.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -174.17 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.66 92.61 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.967 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 48.96 30.07 2.63 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.848 HG21 ' HA ' ' A' ' 87' ' ' LEU . 8.3 tt -93.62 -56.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.111 -177.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 87' ' ' LEU . 11.1 mp -75.2 -12.47 60.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.076 0.465 . . . . 0.0 110.441 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.89 -8.57 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.475 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.96 78.93 64.49 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.337 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HA ' ' SD ' ' A' ' 99' ' ' MET . 10.5 Cg_exo -70.41 132.27 21.96 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.516 2.144 . . . . 0.0 111.562 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.4 m-70 -145.43 146.48 30.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD3' ' SD ' ' A' ' 59' ' ' MET . 18.7 Cg_endo -57.65 -33.51 96.78 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.392 2.061 . . . . 0.0 112.675 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 57.3 mt -92.42 -7.79 46.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.704 -175.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.677 ' SD ' ' HA ' ' A' ' 95' ' ' PRO . 24.8 ptm -59.65 -36.2 75.92 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -174.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 103' ' ' LEU . 58.7 m-85 -95.16 10.35 36.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.72 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.637 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -70.11 -35.53 74.2 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -57.59 -45.82 84.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.518 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.4 mm? -72.71 -37.96 67.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.261 -176.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -67.0 -45.61 77.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.6 -39.25 91.35 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.987 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 HE22 ' HB ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -54.93 -55.0 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.713 176.522 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 111' ' ' MET . 8.3 tp -73.83 -19.37 17.65 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.597 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.77 -56.87 9.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.75 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 112' ' ' LYS . 75.9 m-20 -64.9 -39.17 93.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.034 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.35 -46.03 78.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 46.3 ttm -62.3 -36.35 81.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 63.2 tttp -52.07 -70.2 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.734 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -51.2 -66.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.391 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' CG ' HH12 ' A' ' 118' ' ' ARG . 24.1 t70 -57.8 -78.55 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.172 -172.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.6 m -73.83 -37.09 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.622 -168.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.676 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 40.8 t80 -74.58 -36.92 63.05 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.223 -0.298 . . . . 0.0 110.525 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -67.62 -36.78 81.46 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.315 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.409 HH12 ' CG ' ' A' ' 114' ' ' ASP . 90.5 mtm-85 -75.53 -26.82 58.38 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.329 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.38 -40.72 95.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.065 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.7 8.54 9.71 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.079 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 121' ' ' LYS . 27.8 ttpt -101.69 -58.38 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 31' ' ' PHE . 39.0 m -99.1 72.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.428 0.632 . . . . 0.0 109.684 176.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 130.73 47.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.428 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 31' ' ' PHE . 1.2 mm? -91.38 -17.06 26.43 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 1.3 p90 -80.28 43.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.392 0.615 . . . . 0.0 111.546 -176.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.63 -163.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -81.83 -48.9 11.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.474 ' HD2' ' HG3' ' A' ' 129' ' ' LYS . 35.4 t60 -72.19 139.14 48.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.762 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HG3' ' HD2' ' A' ' 128' ' ' HIS . 68.5 mttm 78.43 -2.36 2.39 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.363 0.665 . . . . 0.0 112.354 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 124' ' ' LEU . 48.4 tpt85 -136.72 -66.16 0.54 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.251 -0.179 . . . . 0.0 111.298 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.8 m -65.29 -41.49 94.09 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.1 78.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.765 169.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.8 -31.0 69.3 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -93.72 76.33 4.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.01 -26.31 61.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.85 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -88.59 148.81 23.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.06 -51.94 62.5 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.595 172.828 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.596 ' N ' ' HB3' ' A' ' 132' ' ' GLU . 15.9 m . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 120.515 0.198 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.0 mtt -120.16 -65.51 1.15 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' SER . 66.7 mt-30 -61.12 -29.61 69.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.077 -174.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 125' ' ' PHE . 48.4 m -114.67 37.7 3.35 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.488 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 tp -139.2 -65.47 0.48 Allowed 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.665 0.745 . . . . 0.0 110.0 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -79.4 -49.43 12.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.314 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 46.4 m -60.71 -39.97 90.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' CE3' ' A' ' 11' ' ' TRP . 18.2 p -71.1 -31.0 67.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.04 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.23 70.46 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 109.984 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' SER . 68.0 mttm -62.51 -61.51 2.39 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.95 0.881 . . . . 0.0 110.394 174.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 8' ' ' THR . 5.2 m0 -66.44 -22.24 66.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.133 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.42 -0.04 44.35 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.729 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.6 -41.17 55.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.0 t -154.83 136.4 14.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.611 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 18' ' ' LEU . 50.1 tp -53.51 -32.68 51.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.848 173.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.363 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.11 -45.71 93.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.356 0.598 . . . . 0.0 109.63 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 28' ' ' PHE . 22.9 tp -55.74 -49.42 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.262 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.08 -7.02 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.863 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -101.29 -37.54 8.46 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.952 0.405 . . . . 0.0 110.904 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.98 131.14 54.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.533 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.554 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 61.3 Cg_exo -52.84 -57.56 1.99 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.875 2.383 . . . . 0.0 112.751 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -57.79 -35.83 71.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.767 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.74 -58.68 13.3 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.782 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.04 -34.57 63.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 22' ' ' PRO . 1.3 mpmm? -63.96 -48.25 77.21 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH2' ' HB2' ' A' ' 124' ' ' LEU . 16.2 mtp180 -64.88 -41.54 95.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.084 0.468 . . . . 0.0 110.386 175.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HB2' HD11 ' A' ' 18' ' ' LEU . 30.0 t80 -61.27 -37.79 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.889 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HA ' HG11 ' A' ' 41' ' ' VAL . 39.8 ttt-85 -70.08 -52.02 27.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.663 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.703 -174.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 123' ' ' ASP . 72.5 t80 -63.88 -57.53 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.98 176.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' SER . 55.9 mt -61.65 -29.53 70.13 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.8 -45.12 94.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.003 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.09 -24.12 59.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.39 1.26 54.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.4 t80 66.03 72.21 0.4 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.832 0.825 . . . . 0.0 111.517 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 68.8 m -159.57 28.39 0.19 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.482 -1.236 . . . . 0.0 109.589 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.53 -36.46 84.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.991 0.424 . . . . 0.0 110.224 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -58.16 -38.18 76.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.667 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.493 ' HB3' ' O ' ' A' ' 37' ' ' SER . 24.0 t30 -60.53 -62.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.136 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 29' ' ' ARG . 6.1 p -57.83 -42.27 81.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.91 -28.86 63.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -65.53 -41.4 93.12 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE3' HD23 ' A' ' 45' ' ' LEU . 86.3 t90 -65.49 -48.38 72.79 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.959 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD23 ' CE3' ' A' ' 44' ' ' TRP . 32.6 mt -55.92 -41.71 74.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.165 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -68.26 -45.38 73.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 90.3 m -66.57 -39.79 88.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.12 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' ' HD2' ' A' ' 52' ' ' LYS . 10.8 tp10 -63.0 -55.54 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.31 -33.29 72.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.549 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 80.9 t80 -57.84 -37.49 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.712 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -87.24 -27.85 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 60.7 mtpt -71.13 -41.38 70.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 112.152 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.812 ' HG3' ' HG3' ' A' ' 54' ' ' GLN . 22.8 ptt? -138.77 -165.22 1.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.001 -177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.812 ' HG3' ' HG3' ' A' ' 53' ' ' MET . 12.9 mt-30 75.05 115.88 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.293 0.637 . . . . 0.0 111.382 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.67 177.28 3.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.163 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 23.0 tptm -48.32 -58.59 4.36 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 m -54.36 -55.59 27.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 111.302 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.47 -47.91 78.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.84 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 47.0 ttp -56.9 -35.37 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.275 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 25.6 mt-30 -62.99 -49.4 74.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 110.078 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 34.1 mt-10 -61.89 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.273 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.2 mmtt -73.76 -22.86 59.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.052 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.78 60.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.3 pttp -72.97 -29.88 63.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.421 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.34 -57.59 10.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 62' ' ' LYS . 20.8 pt -64.79 -34.05 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.609 0.242 . . . . 0.0 110.53 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.98 -49.93 72.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 36.4 ttp -67.83 -29.08 68.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.638 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -85.12 -36.58 21.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -114.73 -31.56 6.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -171.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.6 mm? -107.17 -87.95 0.47 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 22.6 t 53.99 -164.02 0.1 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 m -83.97 -19.13 35.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -152.86 -55.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.726 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 72' ' ' SER . . . 57.48 -84.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.969 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -155.69 35.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m 75.19 99.85 0.07 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.064 -1.425 . . . . 0.0 109.526 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.02 144.48 53.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.859 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 40' ' ' ASN . 23.9 t -58.75 151.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.33 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.02 70.01 0.76 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.464 0.65 . . . . 0.0 110.709 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG23 HH11 ' A' ' 86' ' ' ARG . 14.8 m -98.19 107.23 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.57 179.97 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.916 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.37 151.08 26.15 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.51 -56.82 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.398 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m -83.5 73.5 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.091 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.539 HH11 HG23 ' A' ' 81' ' ' VAL . 61.7 mtm180 -94.54 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 87' ' ' LEU . 2.7 mm? -116.51 85.48 2.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.737 -1.574 . . . . 0.0 107.603 170.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.8 p-10 -76.69 179.4 6.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.851 -172.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.53 127.66 28.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.056 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.512 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 62.3 mttm 51.8 25.68 3.1 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.796 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 88' ' ' ASN . 12.6 tt -76.63 -23.34 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 91' ' ' ILE . 3.7 mm? -73.63 -32.4 64.02 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.586 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.512 ' OE2' ' HG2' ' A' ' 90' ' ' LYS . 51.0 mt-10 -78.19 -6.1 53.81 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.627 -174.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -151.29 80.52 6.4 Favored Pre-proline 0 C--O 1.234 0.276 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.22 140.72 90.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.005 2.47 . . . . 0.0 112.375 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -129.0 156.54 77.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.79 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.27 -28.07 63.96 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 121.858 1.705 . . . . 0.0 110.702 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' ' HB2' ' A' ' 101' ' ' GLN . 82.7 mt -91.25 6.3 45.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.7 ttt -64.48 -63.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.667 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HA ' HD23 ' A' ' 103' ' ' LEU . 87.0 m-85 -89.97 12.88 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 3.0 tp-100 -69.14 -41.9 76.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.694 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -66.73 -45.13 79.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.854 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.5 mm? -60.25 -37.02 79.12 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.362 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.96 -50.52 73.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.564 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.63 -44.78 89.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -55.1 37.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.631 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 111' ' ' MET . 11.0 tp -67.11 -31.34 52.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -177.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -77.59 -44.94 26.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.975 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.94 -51.98 64.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.087 0.47 . . . . 0.0 110.403 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.566 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 12.2 tmm? -62.5 -33.73 75.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.66 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.732 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 86.8 tttt -59.65 -56.58 20.1 Favored 'General case' 0 C--O 1.228 -0.053 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -49.47 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.177 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.42 -66.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.209 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.566 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 16.6 m -74.67 -31.35 61.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -165.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.732 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 78.3 t80 -74.03 -40.5 62.83 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.793 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -65.63 -34.57 78.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.238 0.542 . . . . 0.0 109.545 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 122' ' ' SER . 1.1 tpm_? -66.38 -39.42 89.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.749 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' ASP . 83.2 t80 -65.19 -29.96 70.83 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.272 0.558 . . . . 0.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 116' ' ' TYR . 66.0 mt -86.66 13.0 9.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.72 178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -134.94 128.78 33.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.403 0.621 . . . . 0.0 110.888 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.629 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 32.7 t 47.87 32.81 2.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 124' ' ' LEU . 20.9 t70 -75.23 -173.09 1.91 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.538 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . 48.2 mt -70.36 18.53 0.05 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.311 0.645 . . . . 0.0 112.37 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 4' ' ' SER . 22.8 m-85 -60.23 -20.86 60.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.037 0.446 . . . . 0.0 110.741 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.9 mm? -94.64 146.14 24.35 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.653 -176.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.786 ' HG2' ' HB2' ' A' ' 132' ' ' GLU . 95.6 mttt -77.7 -14.78 59.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 109.914 -177.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -94.51 22.22 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 124' ' ' LEU . 32.2 mmtm -127.69 -45.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.669 171.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 124' ' ' LEU . 53.0 ttt85 -137.82 137.86 38.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.031 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -67.5 82.02 0.16 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.242 0.544 . . . . 0.0 110.583 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.786 ' HB2' ' HG2' ' A' ' 127' ' ' LYS . 57.4 mm-40 -82.35 100.66 10.1 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.828 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 51.76 -160.9 0.09 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.522 0.514 . . . . 0.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.49 -93.95 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -119.82 -175.5 2.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 110.798 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -82.22 82.82 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.382 0.61 . . . . 0.0 111.275 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -115.73 11.3 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.59 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.175 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.432 -176.238 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.594 0.235 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.04 -29.38 68.35 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.384 -0.197 . . . . 0.0 111.42 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.39 -2.84 9.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.953 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 8' ' ' THR . 20.3 m -133.72 23.9 3.98 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.375 0.607 . . . . 0.0 109.924 175.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 tp -141.48 -67.87 0.39 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 122.088 0.946 . . . . 0.0 110.068 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -75.07 -49.96 18.0 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.116 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.748 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 42.2 m -61.88 -38.78 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.889 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.596 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 13.4 p -66.84 -35.67 80.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.652 0.263 . . . . 0.0 110.721 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.93 77.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.05 0.452 . . . . 0.0 110.279 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 21.7 mtpp -57.51 -52.8 63.9 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.888 0.851 . . . . 0.0 110.539 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 m0 -73.39 -25.31 60.51 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.637 -176.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.36 3.02 48.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -86.5 -40.32 15.39 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 168.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 40.5 t -161.63 138.46 8.43 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.473 . . . . 0.0 112.01 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD21 ' A' ' 18' ' ' LEU . 28.2 tp -58.36 -30.34 66.68 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.697 173.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.02 -29.84 64.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.056 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 14' ' ' SER . 95.6 m-20 -65.73 -48.39 72.09 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.405 175.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 15' ' ' LEU . 4.4 pp -66.19 -27.27 67.87 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.169 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -73.99 -21.01 60.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 110.523 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.04 -63.94 1.28 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.723 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.533 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 23.6 m-20 -64.11 137.16 97.03 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.08 -50.98 12.2 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.81 2.34 . . . . 0.0 111.937 176.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.53 -29.1 70.13 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.26 -59.33 11.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.061 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.67 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.2 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.09 -57.49 10.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.719 0.295 . . . . 0.0 110.886 -177.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 90.8 mtt-85 -63.28 -31.64 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.21 -35.01 75.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.155 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -70.67 -49.4 47.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -62.97 -36.06 82.22 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 119' ' ' PHE . 85.9 t80 -61.26 -60.24 4.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 17.1 mt -60.41 -23.7 64.57 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.388 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.96 -42.69 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -83.2 -25.81 31.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.485 0.66 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 20.8 tp10 -84.39 -9.69 58.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.429 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 t80 66.06 78.13 0.27 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.621 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . 48.9 m -172.64 25.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.102 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.693 ' HA ' HG12 ' A' ' 41' ' ' VAL . 12.0 pt-20 -68.76 -23.17 64.29 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp0 -53.51 -42.6 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.016 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.776 HD21 ' HG3' ' A' ' 111' ' ' MET . 15.4 t30 -67.87 -61.02 2.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.173 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 38' ' ' GLU . 8.4 p -59.46 -43.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -175.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.37 -37.79 88.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.795 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 71' ' ' LEU . 65.8 t80 -58.25 -52.95 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.099 0.25 . . . . 0.0 110.829 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -63.93 -49.87 70.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.522 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 41' ' ' VAL . 4.3 mm? -64.27 -29.73 70.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.271 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -73.57 -35.74 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.3 m -71.96 -30.3 65.15 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.67 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 45.4 tt0 -62.84 -54.73 34.39 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.64 -38.28 84.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.037 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.684 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 10.0 t80 -56.64 -35.27 68.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.045 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 1.6 tmtp? -81.48 -26.71 35.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.676 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.9 mmtt -79.19 -68.49 0.65 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.002 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 22.4 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 2.5 pt20 -62.02 89.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.53 167.31 13.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 162.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 88.6 tttt -55.13 -51.36 66.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.363 0.529 . . . . 0.0 110.688 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -59.72 -55.01 39.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.884 0.373 . . . . 0.0 110.456 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -49.87 -56.4 10.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.661 ' HG2' ' CE1' ' A' ' 50' ' ' PHE . 11.3 tmm? -62.46 -40.88 98.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.781 -173.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 27.8 mt-30 -67.8 -51.03 53.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.128 0.489 . . . . 0.0 110.875 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.29 -34.43 77.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.019 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.4 mmtt -75.47 -29.93 59.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.65 69.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.345 0.593 . . . . 0.0 110.122 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -71.58 -29.83 65.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.637 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.43 -71.08 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 62' ' ' LYS . 33.5 pt -56.49 -36.46 47.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.108 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 43.2 t80 -63.65 -56.24 17.34 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.098 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.41 3.46 7.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 -46.85 4.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.601 0.238 . . . . 0.0 111.325 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.47 -29.19 8.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD22 HG22 ' A' ' 81' ' ' VAL . 39.0 mt -118.61 11.61 12.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.495 0.318 . . . . 0.0 111.741 -171.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -38.95 -29.06 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.621 1.168 . . . . 0.0 114.084 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.409 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 48.2 m 65.55 37.55 5.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.015 0.436 . . . . 0.0 111.154 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -159.54 -41.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -54.63 134.95 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.506 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 t -75.96 13.95 0.77 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' ALA . 43.9 m -141.69 82.68 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 73' ' ' SER . 11.9 pt20 -140.05 161.13 38.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.118 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -109.08 135.16 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.293 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -89.46 82.17 6.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.82 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG22 HD22 ' A' ' 71' ' ' LEU . 30.6 m -87.83 40.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.924 173.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -60.73 97.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.385 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.35 -108.21 2.87 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.79 87.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m 59.8 -81.11 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.598 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -177.97 155.28 0.96 Allowed 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 5.2 mp -80.79 -61.02 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 110.464 -175.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 58.86 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.954 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -134.02 -48.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -48.56 -59.7 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.857 -169.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 92' ' ' LEU . 14.2 tt -67.29 -16.7 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.665 0.269 . . . . 0.0 111.144 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.451 HD12 HG23 ' A' ' 91' ' ' ILE . 5.9 mp -85.78 -20.2 29.58 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.746 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.28 -44.61 95.2 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.104 0.478 . . . . 0.0 110.475 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.84 80.97 53.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.75 174.69 12.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.672 2.248 . . . . 0.0 112.499 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 99' ' ' MET . 97.0 m-70 -139.16 146.66 50.12 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HA ' ' HG3' ' A' ' 59' ' ' MET . 19.6 Cg_endo -56.94 -21.45 41.27 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.762 2.308 . . . . 0.0 112.701 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -109.09 7.6 25.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.79 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 96' ' ' HIS . 28.7 ptm -61.49 -39.07 89.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' HD23 ' A' ' 103' ' ' LEU . 51.1 m-85 -86.2 -4.33 59.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -41.46 85.49 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 109.949 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.85 -42.51 99.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 175.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' A' ' 100' ' ' PHE . 3.3 mm? -69.67 -31.12 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.899 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 100' ' ' PHE . 23.0 mt-30 -63.19 -38.34 90.79 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.52 -50.75 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.115 176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -57.76 -52.06 67.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.109 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' MET . 9.4 tp -61.96 -37.53 78.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -61.99 -41.16 97.73 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.139 0.495 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.88 -45.53 81.71 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.947 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -77.28 -25.13 51.1 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.776 ' HG3' HD21 ' A' ' 40' ' ' ASN . 40.3 ttm -64.0 -46.95 82.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 116' ' ' TYR . 56.0 tttp -56.43 -60.93 2.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.332 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.79 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.051 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.01 -62.01 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.201 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.2 m -69.2 -37.55 78.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.69 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 82.6 t80 -71.13 -37.95 72.28 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.447 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.7 m -64.96 -38.73 91.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.323 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mtp180 -72.13 -29.19 63.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 72.5 t80 -60.12 -58.27 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.3 mt -59.42 -22.39 61.38 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.309 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' A' ' 122' ' ' SER . 28.5 ttpt -66.88 -49.51 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.614 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.568 ' O ' ' HE2' ' A' ' 129' ' ' LYS . 48.0 m -137.79 27.83 2.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 33.1 t70 -55.44 168.34 0.39 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.151 0.501 . . . . 0.0 111.335 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 130' ' ' ARG . 1.4 mm? -77.04 38.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.52 -174.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 8' ' ' THR . 31.7 m-85 -71.57 -16.15 62.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 110.458 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 129' ' ' LYS . 2.6 mm? -105.53 157.2 17.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 130' ' ' ARG . 95.7 mttt -89.02 -30.95 18.34 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.839 0.352 . . . . 0.0 110.282 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -69.88 -25.12 63.56 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 109.594 171.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 122' ' ' SER . 45.8 tptt -80.7 -178.9 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 169.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 14.4 ptt180 50.58 16.26 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p 42.76 82.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.477 ' HG3' ' HG3' ' A' ' 130' ' ' ARG . 62.8 mt-10 -140.71 -40.51 0.41 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 68.58 153.09 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.637 0.586 . . . . 0.0 109.584 -171.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' ' HD2' ' A' ' 127' ' ' LYS . 30.0 mp0 -83.88 -62.12 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.312 -176.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.58 -33.11 1.1 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.27 -169.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.92 154.69 29.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.111 0.482 . . . . 0.0 111.683 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.75 140.98 49.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.753 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.096 -177.867 . . . . . . . . 1 1 . 1 stop_ save_